SCHEMBL3652897

SCHEMBL3652897

NC(=O)C(=Cc1ccccc1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
STAT1 P42224 1/20 0.48
RBBP9 O75884 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PLA2G4A P47712 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CES1 P23141 1/20 0.42
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL10339183 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2STAT1RBBP9
SCHEMBL17844700 0.77 ALDH1A1 (0.55) RAB9ARBBP9KMT2APLA2G4AALDH1A1
SCHEMBL30480031 0.77 MAOB (0.39) NPC1RAB9ARBBP9KMT2AKDM4E
SCHEMBL30931995 0.76 AKR1C1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL21777089 0.76 AKR1C1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL19974187 0.76 ALDH1A1 (0.48) RBBP9KMT2APLA2G4AALDH1A1CYP1A2
SCHEMBL10339149 0.74 NPC1 (0.46) NPC1RAB9ASMN1; SMN2STAT1RBBP9
SCHEMBL23931562 0.73 AKR1C3 (0.49) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL30012675 0.73 AKR1C3 (0.49) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL3652893 0.73 GCK (0.48) NPC1RAB9ASMN1; SMN2STAT1RBBP9

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 NPC1 4260/4885RAB9A 1874/4885SMN1; SMN2 4638/4885

“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.