SCHEMBL4613952

SCHEMBL4613952

CCOc1ccc2sc(=O)n(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.50
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
PSMB8 P28062 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4613833 0.88 MAPT (0.55) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL4614424 0.82 SMN1; SMN2 (0.49) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL4614943 0.78 MAPT (0.49) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL4614949 0.78 MAPT (0.49) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL4613814 0.74 TP53 (0.56) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL5283624 0.74 MAPT (0.48) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL5283631 0.74 MAPT (0.48) TP53MAPTSMN1; SMN2HSD17B10HPGD
SCHEMBL9886026 0.73 CYP2A6 (0.44) TP53MAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL19657871 0.71 GPR55 (0.38) TP53MAPT
SCHEMBL4199934 0.71 TMEM97 (0.52) TP53MAPTKDM4ELMNAL3MBTL1

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 22 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
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 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
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-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-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 TP53 4076/4885MAPT 1718/4885SMN1; SMN2 2119/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 TP53 1868/4885MAPT 1792/4885SMN1; SMN2 3816/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B TP53 1664/4885MAPT 2255/4885SMN1; SMN2 4294/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 TP53 1376/4885MAPT 1335/4885SMN1; SMN2 4066/4885

“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.