SCHEMBL3655667

SCHEMBL3655667

Cc1nc(-c2ccccc2)ncc1C=CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.42
PDE4B Q07343 5/20 0.41
PDE4D Q08499 2/20 0.41
DGAT1 O75907 1/20 0.41
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3655664 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL3174535 0.88 RAB9A (0.46) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL3174543 0.88 RAB9A (0.46) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL3619918 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL8181666 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL28522678 0.77 PTGS1 (0.46) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL17086136 0.77 PTGS1 (0.46) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL2350601 0.77 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL403150 0.72 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTTP53RAB9A
Hydrochloric Acid SCHEMBL3228101 0.71 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTTP53RAB9A

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 ALDH1A1 2657/4885SMN1; SMN2 4638/4885MAPT 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.