SCHEMBL4616451

SCHEMBL4616451

COc1ccc(-c2csc(=O)n2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PTGS2 P35354 1/20 0.55
CA9 Q16790 1/20 0.55
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
STAT3 P40763 1/20 0.47
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 6/20 0.45
GRM1 Q13255 1/20 0.44
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL4622748 0.84 GSK3B (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL4616213 0.84 GSK3B (0.50) KMT2AMEN1CA12CA1CA2
SCHEMBL4617244 0.79 CA12 (0.67) KMT2AMEN1CA12CA1CA2
SCHEMBL4616586 0.76 ADORA3 (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL5708551 0.76 KMT2A (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL8071998 0.75 CA12 (0.63) CA12CA1CA2PTGS2CA9
SCHEMBL5281877 0.75 KMT2A (0.65) KMT2AMEN1CA12CA1CA2
SCHEMBL5708549 0.75 KMT2A (0.61) KMT2AMEN1CA12CA1CA2
SCHEMBL31217446 0.74 KMT2A (0.98) KMT2AMEN1CA12CA1CA2
SCHEMBL11043352 0.74 KMT2A (0.48) KMT2AMEN1CA12CA1CA2

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 KMT2A 645/4885MEN1 3146/4885CA12 203/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 KMT2A 751/4885MEN1 3495/4885CA12 332/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT KMT2A 1376/4885MEN1 3258/4885CA12 354/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B KMT2A 1187/4885MEN1 3980/4885CA12 266/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 KMT2A 1345/4885MEN1 4224/4885CA12 143/4885

“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.