SCHEMBL3886209

SCHEMBL3886209

Nc1ccc(O)c2sc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
HDAC3 O15379 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ALOX5 P09917 1/20 0.43
LIMK1 P53667 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GPR3 P46089 1/20 0.40
PTPN1 P18031 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
IKBKB O14920 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 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
SCHEMBL3876524 0.87 IDO1 (0.48) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL3882237 0.85 GPR3 (0.46) IDO1LIMK1CDK5CDK5R1GPR3
SCHEMBL3636775 0.79 ALOX5 (0.43) IDO1ALOX5GPR3PTPN1TNKS
SCHEMBL30422223 0.79 ALOX5 (0.43) IDO1ALOX5GPR3PTPN1TNKS
SCHEMBL3880850 0.76 EP300 (0.39) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL5218956 0.75 MAOA (0.57) ALOX5GPR3TNKSTNKS2MAOA
SCHEMBL13311458 0.75 ALDH1A1 (0.41) ALOX5GPR3PTPN1TNKSTNKS2
SCHEMBL3877515 0.73 PKM (0.53) LIMK1CDK5CDK5R1PTPN1MAOB
SCHEMBL3875198 0.73 MAPT (0.46) ALOX5LIMK1CDK5CDK5R1PTPN1
SCHEMBL3885461 0.73 MAPT (0.42) IDO1LIMK1CDK5CDK5R1MAOA

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 11 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-7732483-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-06-08 US 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-20080242664-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-10-02 US disclosed
US-7402607-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-07-22 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 (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 IDO1 3305/4885HDAC3 681/4885EP300 3052/4885
US-20080242664-A1 DNA-PK INHIBITORS XRCC6, XRCC5, POLK IDO1 3359/4885HDAC3 237/4885EP300 1837/4885
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.