SCHEMBL3653102

SCHEMBL3653102

O=C(Nc1ccccc1)C(=Cc1ccco1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 5/20 0.45
POLB P06746 4/20 0.45
MEN1 O00255 4/20 0.45
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 4/20 0.42

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
SCHEMBL9341959 0.77 KMT2A (0.54) MAPTL3MBTL1CA12CA1CA2
SCHEMBL11372649 0.77 MAPT (0.47) MAPTL3MBTL1KMT2APOLBMEN1
SCHEMBL9341963 0.77 KMT2A (0.54) MAPTL3MBTL1CA12CA1CA2
SCHEMBL7690666 0.69 ALOX5 (0.53) RAB9ANPC1MAPTL3MBTL1KMT2A
SCHEMBL4215747 0.68 FBP1 (0.53) RAB9ANPC1MAPTL3MBTL1KMT2A
SCHEMBL4215748 0.68 FBP1 (0.53) RAB9ANPC1MAPTL3MBTL1KMT2A
SCHEMBL4206174 0.68 FBP1 (0.53) MAPTL3MBTL1KMT2APOLBMEN1
SCHEMBL22528743 0.68 FBP1 (0.53) MAPTL3MBTL1KMT2APOLBMEN1
SCHEMBL22528744 0.68 FBP1 (0.53) MAPTL3MBTL1KMT2APOLBMEN1
SCHEMBL4206177 0.68 FBP1 (0.53) MAPTL3MBTL1KMT2APOLBMEN1

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-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
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
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 RAB9A 1874/4885NPC1 4260/4885MAPT 4745/4885

“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.