SCHEMBL895979

SCHEMBL895979

CNN(C)C(=O)c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.48
MET P08581 16/20 0.48
MAPT P10636 2/20 0.42
FLT1 P17948 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3566451 0.91 KDR (0.55) KDRMETMAPTFLT1ALDH1A1
SCHEMBL307973 0.89 KDR (0.47) KDRMETMAPTFLT1ALDH1A1
SCHEMBL306922 0.86 KDR (0.46) KDRMETMAPTFLT1ALDH1A1
SCHEMBL896173 0.86 KDR (0.51) KDRMETFLT1
SCHEMBL3573701 0.86 KDR (0.55) KDRMETMAPTFLT1ALDH1A1
SCHEMBL13168660 0.86 KDR (0.44) KDRMETMAPTFLT1ALDH1A1
SCHEMBL27811860 0.85 KDR (0.47) KDRMETMAPTALDH1A1MAPK1
SCHEMBL3560489 0.85 KDR (0.47) KDRMETMAPTFLT1ALDH1A1
SCHEMBL3566289 0.84 KDR (0.44) KDRMETMAPTFLT1ALDH1A1
SCHEMBL15225655 0.82 KDR (0.44) KDRMETMAPTFLT1ALDH1A1

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 2 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-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 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 (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-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR KDR 3/4885MET 2/4885MAPT 4370/4885

“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.