SCHEMBL3880779

SCHEMBL3880779

Nc1ccc2c(sc3ccccc32)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR3 P46089 1/20 0.50
LIMK1 P53667 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
IKBKB O14920 1/20 0.42
ALOX5 P09917 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ATM Q13315 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL29132651 0.81 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5713526 0.81 ALDH1A1 (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17928567 0.81 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3876656 0.81 ALOX5 (0.51) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5028205 0.81 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL24385161 0.81 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3886328 0.81 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL15497424 0.80 GPR3 (0.68) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3882651 0.80 MEN1 (0.32) MAPTMEN1KMT2A
SCHEMBL1039859 0.80 GPR3 (0.68) MAPTALDH1A1RAB9AHPGDSMN1; 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 14 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
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-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
US-4690873-A POLYIMIDE FROM DIAMINODIPHENYLENE SULFIDE, SULFOXIDE OR SULFONE UBE INDUSTRIES, LTD. (JP) 1987-09-01 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 (3 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 MAPT 420/4885ALDH1A1 660/4885RAB9A 4019/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885ALDH1A1 660/4885RAB9A 4019/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 MAPT 1164/4885ALDH1A1 2790/4885RAB9A 1404/4885

“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.