SCHEMBL10143932

SCHEMBL10143932

Cc1ccc(SCCc2ccccn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
NPC1 O15118 5/20 0.70
RAB9A P51151 4/20 0.70
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HRH1 P35367 1/20 0.46
ALOX15 P16050 2/20 0.45
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SYK P43405 1/20 0.43
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL16346548 0.98 ALDH1A1 (0.68) ALDH1A1NPC1RAB9ANPSR1MEN1
SCHEMBL5320855 0.86 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AHRH3HRH1
Hydrochloric Acid SCHEMBL16346388 0.84 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL16346747 0.83 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6795231 0.83 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15702601 0.83 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8362996 0.83 NPC1 (0.56) ALDH1A1NPC1RAB9ANPSR1LMNA
SCHEMBL16375091 0.83 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AHRH3HRH1
SCHEMBL16376234 0.83 RAB9A (0.65) ALDH1A1NPC1RAB9ANPSR1MEN1
Hydrochloric Acid SCHEMBL16346496 0.81 RAB9A (0.63) ALDH1A1NPC1RAB9ANPSR1MEN1

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-3019034-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-10-31 EP claimed
US-10178875-B2 Methods of modifying or imparting taste using organic compounds GIVAUDAN S.A. (CH) 2019-01-15 US disclosed
US-10178875-B2 Methods of modifying or imparting taste using organic compounds GIVAUDAN S.A. (CH) 2019-01-15 US disclosed
EP-3019034-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-10-31 EP disclosed
US-20160366922-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-12-22 US disclosed
US-20160366922-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-12-22 US disclosed
WO-2015000900-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-01-08 WO disclosed
US-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-05-08 US disclosed
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 ALDH1A1 2125/4885NPC1 764/4885RAB9A 3256/4885
US-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION PC, PCK2, TXNRD2 ALDH1A1 594/4885NPC1 1163/4885RAB9A 1894/4885
US-10178875-B2 Methods of modifying or imparting taste using organic compounds TAS2R8, OR10J3, TAS2R7 ALDH1A1 1202/4885NPC1 2268/4885RAB9A 1331/4885
US-20160366922-A1 ORGANIC COMPOUNDS OR10J3, TAS2R8, OR51E2 ALDH1A1 1031/4885NPC1 2516/4885RAB9A 1777/4885

“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.