SCHEMBL2158507

SCHEMBL2158507

CN(C(=O)C1CCCC1)c1csc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.43
LMNA P02545 1/20 0.42
GHSR Q92847 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
USP30 Q70CQ3 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL2158434 0.99 FASN (0.42) FASNLMNAGHSRHSD17B1HSD17B2
SCHEMBL2157917 0.84 HTT (0.43) LMNAUSP30NR1H4
SCHEMBL2157448 0.83 NPSR1 (0.42) USP30
SCHEMBL2157618 0.83 NPSR1 (0.42) USP30
SCHEMBL2157590 0.81 CPB1 (0.44) LMNAUSP30NR1H4
SCHEMBL2158126 0.79 NPC1 (0.42) LMNAHSD17B1HSD17B2NPC1RAB9A
SCHEMBL19073496 0.79 FASN (0.63) FASNLMNAGHSRUSP30PKM
SCHEMBL21723992 0.78 HSD17B1 (0.41) LMNAHSD17B1HSD17B2PKMHTR3E
SCHEMBL6227175 0.78 CHRM2 (0.37) FASNLMNAHSD17B1HSD17B2HTR3E
SCHEMBL2157810 0.78 CPB1 (0.57) LMNAPKMNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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 (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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS FASN 1927/4885LMNA 2343/4885GHSR 4300/4885

“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.