SCHEMBL16375352

SCHEMBL16375352

Cc1ccccc1SCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HRH3 Q9Y5N1 1/20 0.46
HRH1 P35367 2/20 0.46
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL16346820 0.98 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHRH3HRH1
SCHEMBL16346328 0.80 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AHRH3HRH1
SCHEMBL10143932 0.77 ALDH1A1 (0.70) ALDH1A1NPC1RAB9AHRH3HRH1
Hydrochloric Acid SCHEMBL16346548 0.75 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AHRH3HRH1
SCHEMBL9770355 0.75 HTR7 (0.48) ALDH1A1NPC1RAB9ALMNA
SCHEMBL29738631 0.75 HTR7 (0.48) ALDH1A1NPC1RAB9ALMNA
SCHEMBL5320855 0.75 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AHRH3HRH1
SCHEMBL20544306 0.75 RAB9A (0.54) ALDH1A1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL951055 0.74 HRH1 (0.55) ALDH1A1NPC1RAB9AHRH3HRH1
SCHEMBL12301179 0.74 MCHR1 (0.64) ALDH1A1NPC1RAB9AMEN1KMT2A

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-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
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

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-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.