SCHEMBL3652508

SCHEMBL3652508

NC(=O)C=Cc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 2/20 0.42
PARP1 P09874 1/20 0.41
ATR Q13535 1/20 0.41
DHODH Q02127 1/20 0.40
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
GRM2 Q14416 1/20 0.38
MPL P40238 1/20 0.38
IL4I1 Q96RQ9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL3652506 1.00 NPC1 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3610428 0.87 P4HTM (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3610427 0.87 P4HTM (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3615276 0.85 CYP11B1 (0.41) NPC1RAB9ACYP11B1CYP11B2DHODH
Hydrochloric Acid SCHEMBL3615277 0.85 CYP11B1 (0.41) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3603831 0.83 CYP11B1 (0.43) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3603828 0.83 CYP11B1 (0.43) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3174142 0.81 CA12 (0.50) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3174149 0.81 CA12 (0.50) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3617010 0.80 ALDH1A1 (0.50) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 NPC1 4260/4885RAB9A 1874/4885KDM4E 1785/4885

“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.