SCHEMBL3876429

SCHEMBL3876429

Nc1cc2sc3ccccc3c2cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GPR3 P46089 1/20 0.61
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LIMK1 P53667 2/20 0.40
CYP1A2 P05177 1/20 0.40
IKBKB O14920 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 2/20 0.39
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38

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
SCHEMBL3878382 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL3879729 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL5028267 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19585605 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25522770 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15840238 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23917090 0.84 GPR3 (0.78) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL1637414 0.84 GPR3 (0.78) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL30077259 0.84 GPR3 (0.78) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL30451427 0.84 GPR3 (0.78) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 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
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US 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
WO-2014082705-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 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 ALDH1A1 660/4885MAPT 420/4885HPGD 290/4885
US-20150336959-A1 Electronic Device ETFB, ETFA, XPOT ALDH1A1 223/4885MAPT 2133/4885HPGD 481/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885MAPT 420/4885HPGD 290/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 ALDH1A1 2790/4885MAPT 1164/4885HPGD 3092/4885

“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.