SCHEMBL16997449

SCHEMBL16997449

O=[N+]([O-])c1ccc(-c2ccccc2)cc1-c1ccc(-c2ccccc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPRT1 P00492 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 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
ATM Q13315 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
SCHEMBL16997293 0.91 ALDH1A1 (0.54) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL14928247 0.85 CRHBP (0.53) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL30145522 0.85 CRHBP (0.53) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL17742439 0.83 TDP1 (0.66) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL12062878 0.79 CRHBP (0.54) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL2601600 0.78 CRHBP (0.58) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL2816974 0.78 CRHBP (0.61) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL16997295 0.78 HPRT1 (0.44) TDP1ALDH1A1HPRT1MEN1KMT2A
SCHEMBL17870898 0.78 ALDH1A1 (0.50) TDP1ALDH1A1CRHBPCRHR2HPRT1
SCHEMBL22544675 0.78 ALDH1A1 (0.68) TDP1ALDH1A1CRHBPCRHR2HPRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20150228908-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1B1, CYP1A1, CRY1 TDP1 2613/4885ALDH1A1 45/4885CRHBP 3771/4885

“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.