SCHEMBL994977

SCHEMBL994977

O=C(Nc1ccc(Cl)cc1)c1cccc(C#Cc2ccccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.59
KDR P35968 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGES O14684 1/20 0.50
AKR1C3 P42330 1/20 0.50
TACR2 P21452 1/20 0.50
TACR1 P25103 1/20 0.50
POLB P06746 2/20 0.49
CES1 P23141 1/20 0.47

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
SCHEMBL25286068 0.88 MEN1 (0.57) GRM5KDRMEN1KMT2ATACR2
SCHEMBL25233673 0.88 GRM5 (0.56) GRM5KDRMEN1KMT2ATACR2
SCHEMBL25232354 0.87 GRM5 (0.54) GRM5KDRTACR2TACR1
SCHEMBL25846457 0.86 GRM5 (0.53) GRM5KDRTACR2TACR1
SCHEMBL25274902 0.85 TRPV1 (0.58) GRM5TACR2TACR1
SCHEMBL30563504 0.85 NPC1 (0.54) GRM5MEN1KMT2ATACR2TACR1
SCHEMBL25246000 0.85 NPC1 (0.54) GRM5MEN1KMT2ATACR2TACR1
SCHEMBL25281475 0.83 TACR2 (0.54) GRM5KDRTACR2TACR1
SCHEMBL25233978 0.83 GRM5 (0.55) GRM5KDRMEN1KMT2ATACR2
SCHEMBL25237004 0.83 NPC1 (0.57) GRM5KDRMEN1KMT2ATACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009447-A1 Substituted Benzoic Acid Amides and Use thereof for the Inhibition of Angiogenesis SCHERING AG (DE) 2011-01-13 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-20110009447-A1 Substituted Benzoic Acid Amides and Use thereof for the Inhibition of Angiogenesis VEGFA, EGLN2, HIF1AN GRM5 2930/4885KDR 8/4885MEN1 3676/4885

“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.