SCHEMBL3882583

SCHEMBL3882583

Cc1cc(N)c2sc3ccccc3c2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
HCRTR1 O43613 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIMK1 P53667 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
GPR3 P46089 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
KDM4E B2RXH2 3/20 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
SCHEMBL3887852 0.87 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3874443 0.84 PKM (0.53) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3875198 0.84 MAPT (0.46) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3876292 0.81 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3879057 0.80 MAPT (0.40) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3875812 0.80 MAPK3 (0.45) ALDH1A1MAPTL3MBTL1HCRTR1MEN1
SCHEMBL3876773 0.80 L3MBTL1 (0.40) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3887742 0.79 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3886481 0.78 MAPT (0.40) ALDH1A1MAPTL3MBTL1POLBHCRTR1
SCHEMBL3877515 0.78 PKM (0.53) ALDH1A1MAPTL3MBTL1POLBHCRTR1

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
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-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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885MAPT 420/4885L3MBTL1 4308/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885MAPT 420/4885L3MBTL1 4308/4885

“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.