SCHEMBL3174535

SCHEMBL3174535

Cc1nc(-c2ccccc2)ncc1/C=C/C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
RXRA P19793 1/20 0.44
NR4A1 P22736 1/20 0.44
RXRB P28702 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
ATM Q13315 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NFKB1 P19838 1/20 0.44
CA4 P22748 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 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
SCHEMBL3174543 1.00 RAB9A (0.46) RAB9ARXRANR4A1RXRBNR4A2
SCHEMBL3655667 0.88 ALDH1A1 (0.44) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3655664 0.88 ALDH1A1 (0.44) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3619918 0.81 ALDH1A1 (0.49) RAB9AALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL8181666 0.81 ALDH1A1 (0.49) RAB9AALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL2350601 0.79 SMN1; SMN2 (0.45) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL403150 0.74 ALDH1A1 (0.63) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL16220587 0.73 KMT2A (0.54) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL3228101 0.73 ALDH1A1 (0.62) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3228095 0.72 KMT2A (0.52) RAB9AALDH1A1SMN1; SMN2MAPTLMNA

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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES 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
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP 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
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 (2 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 1874/4885RXRA 527/4885NR4A1 492/4885
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 RAB9A 3124/4885RXRA 949/4885NR4A1 414/4885

“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.