SCHEMBL5046283

SCHEMBL5046283

Cc1cc2sc(C)nc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
ATM Q13315 1/20 0.32
NQO1 P15559 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL19504299 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL5036522 0.65
SCHEMBL12591029 0.65 GAA (0.42) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL13672157 0.64 NQO1 (0.38) ALDH1A1TP53MAPTKMT2ATDP1
SCHEMBL4384430 0.64 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL15436989 0.64 HSD17B10 (0.32) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL19267573 0.62 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL13072752 0.62 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL12635465 0.62 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21166649 0.61 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1PKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
US-20170306237-A1 COMPOSITION, AND OPTICAL FILM INCLUDING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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 (1 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B SMN1; SMN2 4773/4885NPC1 4651/4885RAB9A 3830/4885

“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.