SCHEMBL3173464

SCHEMBL3173464

O=C(Nc1nccs1)C(OC(=O)C(F)(F)F)Oc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ACP1 P24666 1/20 0.39
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GCK P35557 1/20 0.37
NR3C1 P04150 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3180774 0.85 NPC1 (0.45) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3180476 0.84 ALDH1A1 (0.39) NPC1RAB9AKDM4EGCKALDH1A1
Trifluoroacetic Acid SCHEMBL3173448 0.77 NPC1 (0.58) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL8452054 0.76 NPC1 (0.63) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3170216 0.74 DGAT1 (0.42) GAASMN1; SMN2HTTNPC1RAB9A
SCHEMBL3164342 0.72 SCN9A (0.42) GAASMN1; SMN2LMNANPC1RAB9A
SCHEMBL3174542 0.70 PTPN1 (0.48) SMN1; SMN2HTTLMNANPC1TP53
SCHEMBL3179680 0.68 SMN1; SMN2 (0.42) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3182212 0.66 NPC1 (0.39) NPC1RAB9AKDM4EHPGDL3MBTL1
Trifluoroacetic Acid SCHEMBL3182204 0.63 ALOX5AP (0.43) NPC1RAB9AKDM4ETP53ALOX15

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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 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 (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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 MGAM 3080/4885GAA 1632/4885SI 3002/4885

“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.