SCHEMBL3872832

SCHEMBL3872832

Nc1cc2[nH]c3ccccc3c2cc1N

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.71
PARP1 P09874 1/20 0.63
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GPR3 P46089 1/20 0.61
KIF11 P52732 11/20 0.53
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47

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
SCHEMBL3876929 0.84 AHR (0.61) AHRPARP1ALDH1A1HSD17B10GPR3
SCHEMBL3878280 0.84 AHR (0.61) AHRPARP1ALDH1A1HSD17B10GPR3
SCHEMBL12219476 0.84 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL12219478 0.84 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29380459 0.84 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL550602 0.84 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL3876797 0.83 PARP1 (0.56) AHRPARP1ALDH1A1HSD17B10KIF11
SCHEMBL29406398 0.81 AHR (0.85) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL1636528 0.81 AHR (0.85) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL12219451 0.81 AHR (0.85) AHRALDH1A1HSD17B10GPR3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
EP-2926385-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
EP-2926385-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10065959-B2 Electronic device MERCK PATENT GMBH (DE) 2018-09-04 US disclosed
CN-104813496-B Electronic device 默克专利有限公司 2017-08-08 CN disclosed
US-20150336959-A1 Electronic Device MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150336959-A1 Electronic Device MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
EP-2926385-A1 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2015-10-07 EP disclosed
WO-2014082705-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
WO-2014082705-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (4 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885PARP1 2050/4885ALDH1A1 660/4885
US-10065959-B2 Electronic device ETFB, ETFA, XPOT AHR 656/4885PARP1 2025/4885ALDH1A1 223/4885
US-20150336959-A1 Electronic Device ETFB, ETFA, XPOT AHR 656/4885PARP1 2025/4885ALDH1A1 223/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885PARP1 2050/4885ALDH1A1 660/4885

“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.