SCHEMBL3876524

SCHEMBL3876524

Nc1ccc(O)c2c1sc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
HDAC3 O15379 1/20 0.48
EP300 Q09472 1/20 0.48
KAT2B Q92831 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALOX5 P09917 1/20 0.44
GPR3 P46089 1/20 0.41
LIMK1 P53667 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PTPN1 P18031 1/20 0.40
IKBKB O14920 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39

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
SCHEMBL3886209 0.87 IDO1 (0.47) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3882237 0.86 GPR3 (0.46) IDO1GPR3LIMK1CDK5CDK5R1
SCHEMBL23546582 0.80 LIMK1 (0.40) IDO1GPR3LIMK1CDK5CDK5R1
SCHEMBL3873266 0.78 EP300 (0.39) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3874443 0.75 PKM (0.53) LIMK1CDK5CDK5R1PTPN1MAOA
SCHEMBL3886328 0.74 MAPT (0.47) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3872864 0.74 GPR3 (0.46) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3876656 0.74 ALOX5 (0.51) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3885467 0.74 GPR3 (0.46) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3875295 0.74 LIMK1 (0.36) 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 6 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
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 IDO1 3305/4885HDAC3 681/4885EP300 3052/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IDO1 3305/4885HDAC3 681/4885EP300 3052/4885

“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.