SCHEMBL4614580

SCHEMBL4614580

Cn1c(=O)sc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.53
THRB P10828 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
HTR1A P08908 2/20 0.43
HTR2C P28335 1/20 0.43
PARP15 Q460N3 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ACHE P22303 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL4199934 0.85 TMEM97 (0.52) SIGMAR1THRBTMEM97MAPTTP53
SCHEMBL30538010 0.85 TMEM97 (0.52) SIGMAR1THRBTMEM97MAPTTP53
SCHEMBL9686018 0.82 SIGMAR1 (0.55) SIGMAR1MAPTHTR1AHTR2CACHE
SCHEMBL9485398 0.81 SIGMAR1 (0.50) SIGMAR1THRBMAPTTP53ACHE
SCHEMBL14565129 0.80 CYP19A1 (0.46) SIGMAR1THRBMAPTTP53HTR1A
SCHEMBL4616475 0.79 MAPT (0.51) SIGMAR1MAPTTP53HTR1AHTR2C
SCHEMBL4615636 0.78 HTR1A (0.45) SIGMAR1THRBMAPTTP53HTR1A
SCHEMBL745588 0.78 SIGMAR1 (0.48) SIGMAR1THRBMAPTTP53HTR1A
SCHEMBL3035789 0.78 BRPF1 (0.47) SIGMAR1THRBMAPTTP53HTR1A
SCHEMBL8281885 0.78 SIGMAR1 (0.45) SIGMAR1THRBMAPTTP53HTR1A

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 24 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-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP 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
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP claimed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO 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
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US disclosed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US disclosed
EP-1607447-A1 Methods and compositions for dyeing a substrate Hewlett-Packard Development Company, L.P. (US) 2005-12-21 EP disclosed
US-20050274274-A1 Methods and compositions for dying a substrate HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-12-15 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 (4 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 SIGMAR1 4373/4885THRB 3575/4885TMEM97 4358/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 SIGMAR1 4478/4885THRB 4174/4885TMEM97 4278/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B SIGMAR1 4448/4885THRB 4469/4885TMEM97 4263/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 SIGMAR1 3812/4885THRB 4604/4885TMEM97 3204/4885

“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.