SCHEMBL3616558

SCHEMBL3616558

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.50
OPRD1 P41143 6/20 0.50
OPRK1 P41145 6/20 0.50
LTA4H P09960 1/20 0.46
MAP3K7 O43318 1/20 0.45
TAB1 Q15750 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3616559 1.00 OPRM1 (0.50) OPRM1OPRD1OPRK1LTA4HMAP3K7
SCHEMBL3179345 0.88 SRD5A2 (0.56) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL3179354 0.88 SRD5A2 (0.56) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL8175136 0.81 NPC1 (0.57) ALDH1A1KDM4EMMP1MMP2NPC1
SCHEMBL9865069 0.80 KMT2A (0.64) ALDH1A1L3MBTL1NPC1RAB9ASRD5A2
SCHEMBL17339657 0.79 NNMT (0.54) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL3607620 0.78 KMT2A (0.52) OPRM1ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL8164709 0.78 KMT2A (0.52) OPRM1ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL14350431 0.77 KDM4E (0.50) OPRM1OPRD1OPRK1LTA4HALDH1A1
SCHEMBL9836849 0.77 TBXAS1 (0.53) LTA4HALDH1A1L3MBTL1KDM4ENPC1

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 10 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-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
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
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 OPRM1 235/4885OPRD1 1825/4885OPRK1 916/4885

“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.