SCHEMBL3612019

SCHEMBL3612019

O=C(O)/C=C/c1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 5/20 0.49
ALOX5 P09917 3/20 0.49
LMNA P02545 3/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 3/20 0.45
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
AR P10275 1/20 0.44
NPY5R Q15761 1/20 0.43
NPC1 O15118 3/20 0.43
CASP3 P42574 1/20 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
SCHEMBL3612022 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3650972 0.87 RAB9A (0.51) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3650974 0.87 RAB9A (0.51) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3618951 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3618953 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3605400 0.80 RAB9A (0.43) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3614967 0.80 RAB9A (0.48) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3614966 0.80 RAB9A (0.48) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3605399 0.80 RAB9A (0.43) ALDH1A1KDM4EHPGDRAB9AALOX5
SCHEMBL3875669 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDRAB9AALOX5

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 2657/4885KDM4E 1785/4885HPGD 92/4885

“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.