SCHEMBL306326

SCHEMBL306326

CN(C)CC#Cc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.40
HSPB1 P04792 3/20 0.38
MET P08581 14/20 0.37
KDR P35968 13/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3623502 0.85 HSPB1 (0.40) S1PR4HSPB1METKDRMAPT
SCHEMBL10223913 0.84 MET (0.41) METKDRCYP3A4
SCHEMBL3626307 0.83 HSPB1 (0.43) S1PR4HSPB1METKDRMAPT
SCHEMBL3570411 0.83 HSPB1 (0.43) S1PR4HSPB1METKDRMAPT
SCHEMBL3565178 0.81 MET (0.39) S1PR4METKDRMAPTALDH1A1
SCHEMBL1137349 0.79 MET (0.55) S1PR4HSPB1METCYP3A4MAPT
SCHEMBL2602341 0.79 HSPB1 (0.45) S1PR4HSPB1METKDRMAPT
SCHEMBL3566451 0.77 KDR (0.55) HSPB1METKDRMAPTALDH1A1
SCHEMBL108759 0.77 HSPB1 (0.45) S1PR4HSPB1METKDRMAPT
SCHEMBL14230559 0.77 HSPB1 (0.45) S1PR4HSPB1METKDRMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 S1PR4 732/4885HSPB1 2247/4885MET 2/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR S1PR4 1083/4885HSPB1 1266/4885MET 2/4885

“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.