SCHEMBL8460692

SCHEMBL8460692

O=C(CNc1ccc(-c2ccc(F)cc2)nc1)Nc1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.49
NFKB1 P19838 1/20 0.49
AGTR1 P30556 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MGAM O43451 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL3179670 0.94 NPC1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL8446321 0.82 KMT2A (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL9003839 0.81 NPC1 (0.76) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL8446322 0.78 PTPN1 (0.52) PTPN1PTPN6PTPN11MGLL
Trifluoroacetic Acid SCHEMBL3169649 0.77 KMT2A (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL3615601 0.76 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL3615604 0.76 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
Trifluoroacetic Acid SCHEMBL3180765 0.76 NPC1 (0.67) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL11311373 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
Trifluoroacetic Acid SCHEMBL3184084 0.73 KDM4E (0.47) PTPN1PTPN6PTPN11MGLL

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
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
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
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US 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 NPC1 2911/4885RAB9A 3124/4885SMN1; SMN2 4713/4885

“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.