SCHEMBL3179345

SCHEMBL3179345

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.56
RHOA P61586 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
HDAC3 O15379 1/20 0.49
TNKS O95271 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3179354 1.00 SRD5A2 (0.56) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL3616558 0.88 OPRM1 (0.50) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL3616559 0.88 OPRM1 (0.50) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL9836849 0.88 TBXAS1 (0.53) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL9836844 0.88 TBXAS1 (0.53) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL3618167 0.87 ALDH1A1 (0.65) SRD5A2P4HTMALDH1A1KDM4ERAB9A
SCHEMBL3618165 0.87 ALDH1A1 (0.65) SRD5A2P4HTMALDH1A1KDM4ERAB9A
SCHEMBL9835977 0.85 RHOA (0.53) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL9835980 0.85 RHOA (0.53) SRD5A2RHOAP4HTMALDH1A1KDM4E
SCHEMBL8175136 0.84 NPC1 (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2MMP1

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 13 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
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 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 (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 SRD5A2 809/4885RHOA 183/4885P4HTM 314/4885
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 SRD5A2 548/4885RHOA 1839/4885P4HTM 347/4885

“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.