SCHEMBL306752

SCHEMBL306752

O=C(O)CC(=O)Nc1ccncc1.[LiH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.70
LMNA P02545 3/20 0.57
MDM2 Q00987 1/20 0.57
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL10254172 0.98 BCHE (0.72) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL16353729 0.82 BCHE (1.00) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL13824324 0.80 BCHE (0.59) BCHELMNAMDM2ALDH1A1HTT
Lithium Ion SCHEMBL306751 0.80 BCHE (0.59) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL16353862 0.79 BCHE (0.80) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL9912422 0.79 BCHE (0.63) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL175602 0.79 EPHX2 (0.63) HTTHSD17B10HDAC3HDAC4HDAC1
SCHEMBL17993537 0.78 BCHE (0.58) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL14817537 0.78 BCHE (0.58) BCHELMNAMDM2ALDH1A1HTT
SCHEMBL19026944 0.78 BCHE (0.58) BCHELMNAMDM2ALDH1A1HTT

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 6 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
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO 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 BCHE 4787/4885LMNA 4411/4885MDM2 382/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR BCHE 4788/4885LMNA 4840/4885MDM2 306/4885

“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.