SCHEMBL8175136

SCHEMBL8175136

O=C(/C=C/c1ccc(Oc2ccccc2)nc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MMP1 P03956 6/20 0.56
MMP2 P08253 6/20 0.56
MMP9 P14780 6/20 0.56
EGFR P00533 3/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
STAT1 P42224 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TRPV1 Q8NER1 1/20 0.50

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 SCHEMBL3620371 0.93 NPC1 (0.51) NPC1RAB9AMMP1MMP2MMP9
Trifluoroacetic Acid SCHEMBL3620370 0.93 NPC1 (0.51) NPC1RAB9AMMP1MMP2MMP9
SCHEMBL3179354 0.84 SRD5A2 (0.56) NPC1RAB9AMMP1MMP2LMNA
SCHEMBL3179345 0.84 SRD5A2 (0.56) NPC1RAB9AMMP1MMP2LMNA
SCHEMBL3616559 0.81 OPRM1 (0.50) NPC1RAB9AMMP1MMP2LMNA
SCHEMBL3616558 0.81 OPRM1 (0.50) NPC1RAB9AMMP1MMP2LMNA
SCHEMBL8171051 0.79 CYP1A2 (0.53) NPC1RAB9AMAOBALDH1A1SMN1; SMN2
SCHEMBL25222060 0.75 EGFR (0.90) NPC1RAB9AMMP1MMP2MMP9
SCHEMBL7637674 0.74 NPC1 (0.63) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8164709 0.74 KMT2A (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
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
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US 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 1874/4885MMP1 1120/4885

“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.