SCHEMBL4615745

SCHEMBL4615745

Cc1sc(=O)n(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.47
GSK3A P49840 5/20 0.47
CYP2C19 P33261 4/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 3/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
AVPR1A P37288 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL4614631 0.80 GSK3B (0.48) GSK3BGSK3ACYP2C19KMT2ACYP2C9
SCHEMBL4622120 0.79 GSK3B (0.52) GSK3BGSK3ACYP2C19KMT2ACYP1A2
SCHEMBL4614657 0.78 ALDH1A1 (0.46) CYP2C19KMT2ACYP2C9CYP1A2KDM4E
SCHEMBL4617250 0.75 ALDH1A1 (0.54) GSK3BGSK3ACYP2C19KMT2ACYP2C9
SCHEMBL4617247 0.75 ALDH1A1 (0.54) GSK3BGSK3ACYP2C19KMT2ACYP2C9
SCHEMBL4615101 0.74 PTGS2 (0.38) CYP2C19CYP2C9CYP1A2KDM4EPOLB
SCHEMBL10392954 0.72 GSK3B (0.44) GSK3BGSK3ACYP2C19KMT2ACYP1A2
SCHEMBL5708543 0.71 ALDH1A1 (0.37) GSK3BGSK3ACYP2C19KMT2ACYP2C9
SCHEMBL5283987 0.71 KDM4E (0.55) GSK3BGSK3AKMT2ARECQLKDM4E
SCHEMBL5708487 0.70 KMT2A (0.48) CYP2C19KMT2ACYP2C9RECQLCYP1A2

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 26 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
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
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO 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 GSK3B 3888/4885GSK3A 3976/4885CYP2C19 3762/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 GSK3B 3633/4885GSK3A 3537/4885CYP2C19 2826/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT GSK3B 3508/4885GSK3A 3423/4885CYP2C19 2008/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B GSK3B 2738/4885GSK3A 2495/4885CYP2C19 2389/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 GSK3B 2689/4885GSK3A 2544/4885CYP2C19 4490/4885

“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.