SCHEMBL4616581

SCHEMBL4616581

Cn1c(-c2ccccc2)c(-c2ccc(Cl)cc2)sc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
TP53 P04637 5/20 0.40
MAPT P10636 3/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.37
MDM2 Q00987 3/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 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
SCHEMBL4616024 0.90 HSD17B10 (0.40) MAPTPTGS1NR1H2NR1H3KDM4E
SCHEMBL4615664 0.86 ALOX5 (0.42) MAPTALOX5PTGS1KDM4ELMNA
SCHEMBL4616717 0.84 ALDH1A1 (0.42) TP53MAPTPTGS1NR1H2NR1H3
SCHEMBL4615813 0.84 ALOX5 (0.47) TP53ALOX5BRD4MDM2KMT2A
SCHEMBL4613802 0.78 PDE7A (0.40) CYP1A2TP53MAPTPTGS1NR1H2
SCHEMBL4613804 0.78 PDE7A (0.40) CYP1A2TP53MAPTPTGS1NR1H2
SCHEMBL5283048 0.74 MAPT (0.39) CYP1A2TP53MAPTNR1H2NR1H3
SCHEMBL5283041 0.74 MAPT (0.39) CYP1A2TP53MAPTNR1H2NR1H3
SCHEMBL11727345 0.73 HSD17B10 (0.36) MAPTPTGS1KDM4ELMNAGAA
SCHEMBL4614726 0.73 CDK2 (0.39) MAPTALOX5KDM4ELMNABRD4

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 CYP1A2 3875/4885TP53 4076/4885MAPT 1718/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 CYP1A2 1468/4885TP53 1868/4885MAPT 1792/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT CYP1A2 1282/4885TP53 811/4885MAPT 1013/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B CYP1A2 1998/4885TP53 1664/4885MAPT 2255/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 CYP1A2 4146/4885TP53 1376/4885MAPT 1335/4885

“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.