SCHEMBL4616233

SCHEMBL4616233

O=c1sccn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.45
GSK3A P49840 3/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
ATM Q13315 1/20 0.39
COMT P21964 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NOTUM Q6P988 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL15351820 0.77 MGLL (0.47) GSK3BGSK3AATMALDH1A1MGLL
SCHEMBL23727071 0.74 INMT (0.41) GSK3BDDB1CRBNSMN1; SMN2EP300
SCHEMBL23727585 0.70 NPC1 (0.43) DDB1CRBNSMN1; SMN2ATMCOMT
SCHEMBL23727586 0.70 NPC1 (0.43) DDB1CRBNSMN1; SMN2ATMCOMT
SCHEMBL4616191 0.69 ATM (0.41) DDB1CRBNSMN1; SMN2ATMALDH1A1
SCHEMBL4616194 0.69 ATM (0.41) DDB1CRBNSMN1; SMN2ATMALDH1A1
SCHEMBL14797462 0.69 DDB1 (0.52) GSK3BGSK3ADDB1CRBNSMN1; SMN2
SCHEMBL143175 0.67 ALDH1A1 (0.54) GSK3BGSK3ADDB1CRBNSMN1; SMN2
SCHEMBL10415933 0.65 GSK3B (0.50) GSK3BGSK3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5289207 0.64 RAB9A (0.35) COMTALDH1A1KDM4ECYP1A2MEN1

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 14 patents. 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-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP 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
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-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US disclosed
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 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 (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 GSK3B 3888/4885GSK3A 3976/4885DDB1 3162/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 GSK3B 3633/4885GSK3A 3537/4885DDB1 2032/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B GSK3B 2738/4885GSK3A 2495/4885DDB1 1784/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 GSK3B 2689/4885GSK3A 2544/4885DDB1 2486/4885

“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.