SCHEMBL4614657

SCHEMBL4614657

Cc1sc(=O)n(C)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GABRA1 P14867 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
SCHEMBL4616024 0.81 HSD17B10 (0.40) ALDH1A1CYP2C19HSD17B10LMNAKDM4E
SCHEMBL4615745 0.78 GSK3B (0.47) CYP2C19SMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL4615664 0.78 ALOX5 (0.42) ALDH1A1NPC1RAB9ACYP2C19HSD17B10
SCHEMBL2342643 0.77 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL4615101 0.77 PTGS2 (0.38) ALDH1A1NPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL4615391 0.77 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL5283987 0.74 KDM4E (0.55) ALDH1A1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL4614726 0.73 CDK2 (0.39) ALDH1A1NPC1SMN1; SMN2HSD17B10LMNA
SCHEMBL4614475 0.73 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL4616581 0.73 CYP1A2 (0.42) ALDH1A1NPC1RAB9ACYP1A2LMNA

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-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING 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-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING 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 ALDH1A1 727/4885NPC1 4563/4885RAB9A 3286/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 ALDH1A1 137/4885NPC1 4840/4885RAB9A 3292/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT ALDH1A1 494/4885NPC1 4612/4885RAB9A 2841/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B ALDH1A1 129/4885NPC1 4461/4885RAB9A 2070/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 ALDH1A1 561/4885NPC1 4818/4885RAB9A 3611/4885

“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.