SCHEMBL4153141

SCHEMBL4153141

Cc1ncc(-c2ccco2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
PTPN7 P35236 2/20 0.43
RECQL P46063 2/20 0.43
BLM P54132 2/20 0.43
CASP7 P55210 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL4153138 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL3963170 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL12091036 0.76 FAAH (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL27752608 0.76 RAB9A (0.41) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL13744593 0.73 FAAH (0.44) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL1799678 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL13484386 0.72 FAAH (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL4148373 0.72 NOTUM (0.59) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL4142795 0.72 FAAH (0.40) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL344598 0.71 ALOX15 (0.59) ALDH1A1KDM4EHPGDHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (2 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 ALDH1A1 3789/4885KDM4E 1732/4885HPGD 3589/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 ALDH1A1 3409/4885KDM4E 1786/4885HPGD 3414/4885

“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.