SCHEMBL17878485

SCHEMBL17878485

Brc1cccc(N(c2ccccc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CYP1A2 P05177 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
BIRC5 O15392 1/20 0.36
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL19429275 0.94 CYP2A6 (0.44) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL15449512 0.91 CYP2A6 (0.63) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL17878488 0.90 BIRC5 (0.45) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL17878469 0.89 CYP2A6 (0.45) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL18090362 0.89 CYP2A6 (0.45) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL12061280 0.89 CYP2A6 (0.45) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL19960908 0.89 CYP2A6 (0.45) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL30159 0.89 CYP2A6 (0.54) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL26107 0.89 CYP2A6 (0.54) CYP2A6ALDH1A1L3MBTL1CYP1A2TDP1
SCHEMBL29803815 0.89 BIRC5 (0.44) CYP2A6ALDH1A1CYP1A2KDM4EMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022250244-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-01 WO disclosed
US-9957441-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-01 US disclosed
WO-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed
WO-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed
US-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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 (2 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-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, TYR, TAAR1 CYP2A6 1331/4885ALDH1A1 20/4885L3MBTL1 514/4885
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 CYP2A6 1926/4885ALDH1A1 453/4885L3MBTL1 371/4885

“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.