SCHEMBL3882237

SCHEMBL3882237

Nc1ccc(N)c2c1sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
LIMK1 P53667 2/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MAPT P10636 5/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 1/20 0.39
IDO1 P14902 1/20 0.38
APP P05067 2/20 0.38
INSR P06213 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3876524 0.86 IDO1 (0.48) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL3886209 0.85 IDO1 (0.47) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL23546582 0.85 LIMK1 (0.40) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL3873227 0.78 IDO1 (0.41) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL3881333 0.77 KEAP1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3881164 0.77 KEAP1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3874056 0.77 APP (0.45) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL17010959 0.77 GPR3 (0.60) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL29378897 0.77 GPR3 (0.54) GPR3LIMK1CDK5CDK5R1TNKS
SCHEMBL3292566 0.77 GPR3 (0.54) GPR3LIMK1CDK5CDK5R1TNKS

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 GPR3 4420/4885LIMK1 3428/4885CDK5 847/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 GPR3 4420/4885LIMK1 3428/4885CDK5 847/4885

“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.