SCHEMBL5036804

SCHEMBL5036804

CCOc1nc2sccc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
PKM P14618 4/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
NQO1 P15559 1/20 0.31
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL5040338 0.79 MAPT (0.34) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL6842459 0.69 PTGS1 (0.58) KMT2AKDM4EMAPK1F2RL3PTGS1
SCHEMBL14709957 0.69 MAPT (0.43) KMT2AALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL2931821 0.69
SCHEMBL14793975 0.68
SCHEMBL26189757 0.68 NTRK1 (0.32)
SCHEMBL592606 0.68 L3MBTL1 (0.34) HSD17B10KDM4EMAPK1NPC1RAB9A
SCHEMBL5039915 0.67 TTBK1 (0.35) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL5036396 0.67 KMT2A (0.37) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL577582 0.66

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 6 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
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 KMT2A 1578/4885ALDH1A1 492/4885HSD17B10 342/4885

“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.