SCHEMBL3179680

SCHEMBL3179680

O=C(Nc1nccs1)C(Nc1ccc(-c2ccc(F)cc2)nc1)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
NFKB1 P19838 1/20 0.42
AGTR1 P30556 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL3169661 0.85 KMT2A (0.45) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3180774 0.82 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3184096 0.82 CYP2D6 (0.46) NPC1RAB9AL3MBTL1PTPN1PTPN6
SCHEMBL3173777 0.75 LMNA (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HTT
Trifluoroacetic Acid SCHEMBL3179670 0.74 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL8460692 0.72 NPC1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3170063 0.71 LMNA (0.59) SMN1; SMN2RAB9AALDH1A1GAAHTT
Trifluoroacetic Acid SCHEMBL3180765 0.71 NPC1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3595614 0.70 NPC1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3174542 0.70 PTPN1 (0.48) SMN1; SMN2NPC1HTTTP53PTPN1

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 SMN1; SMN2 4713/4885NPC1 2911/4885RAB9A 3124/4885

“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.