SCHEMBL4614726

SCHEMBL4614726

Cc1c(-c2ccccc2)sc(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.39
CLK1 P49759 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
ALOX5 P09917 1/20 0.38
BRD4 O60885 2/20 0.37
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ADORA2B P29275 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 1/20 0.36
MAPT P10636 1/20 0.36
GRM6 O15303 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4616024 0.81 HSD17B10 (0.40) HPGDHSD17B10KDM4EHTTMAPT
SCHEMBL4615664 0.78 ALOX5 (0.42) ALOX5HPGDHSD17B10KDM4EHTT
SCHEMBL4614657 0.73 ALDH1A1 (0.46) BRD4HPGDHSD17B10ADORA2BKDM4E
SCHEMBL4616875 0.73 CNR2 (0.38) ALOX5KDM4EHTTSMN1; SMN2MAPT
SCHEMBL4616874 0.73 CNR2 (0.38) ALOX5KDM4EHTTSMN1; SMN2MAPT
SCHEMBL4616581 0.73 CYP1A2 (0.42) ALOX5BRD4KDM4EHTTMAPT
SCHEMBL4616717 0.73 ALDH1A1 (0.42) HSD17B10HTTSMN1; SMN2MAPTNPC1
SCHEMBL15031170 0.67 ADK (0.49) ALOX5BRD4HTTMAPTGRM6
SCHEMBL4617292 0.66 PTGS2 (0.38) HSD17B10KDM4EALDH1A1
SCHEMBL11429710 0.65 LMNA (0.58) BRD4HPGDHSD17B10ADORA2BKDM4E

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP claimed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO claimed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US claimed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US claimed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US disclosed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 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 (5 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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 CDK2 3628/4885CLK1 1563/4885MKNK2 789/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 CDK2 776/4885CLK1 4046/4885MKNK2 1013/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT CDK2 1336/4885CLK1 3467/4885MKNK2 943/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B CDK2 818/4885CLK1 3071/4885MKNK2 1208/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 CDK2 2438/4885CLK1 3478/4885MKNK2 619/4885

“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.