SCHEMBL16997293

SCHEMBL16997293

O=[N+]([O-])c1ccc(-c2ccccc2)cc1-c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPRT1 P00492 1/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16997449 0.91 TDP1 (0.50) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL16997295 0.87 HPRT1 (0.44) ALDH1A1TDP1HPRT1MAPK1MEN1
SCHEMBL17742439 0.83 TDP1 (0.66) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL14928247 0.82 CRHBP (0.53) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL30145522 0.82 CRHBP (0.53) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL7695295 0.79 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1MEN1KMT2A
SCHEMBL27920773 0.79 ALDH1A1 (0.46) ALDH1A1TDP1CRHBPCRHR2MAPK1
SCHEMBL2601600 0.78 CRHBP (0.58) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL22544675 0.78 ALDH1A1 (0.68) ALDH1A1TDP1CRHBPCRHR2HPRT1
SCHEMBL11792031 0.77 ALDH1A1 (0.88) ALDH1A1TDP1CRHBPCRHR2HPRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706983-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
EP-3184522-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-01-11 EP disclosed
US-11322695-B2 Ink composition for organic light-emitting device, organic light-emitting device including film formed by using the ink composition, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-05-03 US disclosed
US-20200295273-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-09-17 US disclosed
US-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-24 US disclosed
EP-3269783-B1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-16 EP disclosed
US-9911925-B2 Carbazole-based compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-06 US disclosed
US-20180019411-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2018-01-18 US disclosed
US-20180019411-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2018-01-18 US disclosed
EP-3269783-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd (KR) 2018-01-17 EP disclosed
EP-3184522-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2017-06-28 EP disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 US disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 US disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 US disclosed
EP-2991128-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2017-04-12 EP disclosed
US-20160072078-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-10 US disclosed
US-20160072078-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-10 US disclosed
EP-2991128-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2016-03-02 EP disclosed
US-20150228908-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2015-08-13 US disclosed
US-20150228908-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2015-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, C9, CRY2 ALDH1A1 490/4885TDP1 2480/4885CRHBP 1419/4885
US-20150228908-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1B1, CYP1A1, CRY1 ALDH1A1 45/4885TDP1 2613/4885CRHBP 3771/4885
US-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device CRY1, C9, CRY2 ALDH1A1 490/4885TDP1 2480/4885CRHBP 1419/4885
US-11322695-B2 Ink composition for organic light-emitting device, organic light-emitting device including film formed by using the ink composition, and method of manufacturing the organic light-emitting device TYR, IK, TH ALDH1A1 15/4885TDP1 947/4885CRHBP 4549/4885
US-20180019411-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE TYR, LEF1, CYP1A1 ALDH1A1 9/4885TDP1 509/4885CRHBP 4557/4885
US-20200295273-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE TYR, IK, TH ALDH1A1 15/4885TDP1 947/4885CRHBP 4549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.