SCHEMBL4068547

SCHEMBL4068547

O=C(Nc1cccc(F)c1CN1C(=O)c2ccccc2C1=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.58
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HDAC1 Q13547 1/20 0.46
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 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
SCHEMBL4072498 0.92 TSHR (0.52) GRM5TSHRPOLBHTTMEN1
SCHEMBL4081114 0.87 HPGD (0.53) GRM5TSHRPOLBHTTLMNA
SCHEMBL4078846 0.84 HDAC1 (0.58) GRM5TSHRPOLBHTTNPC1
SCHEMBL4078648 0.83 POLB (0.44) GRM5TSHRPOLBHTTMEN1
SCHEMBL4076114 0.81 HDAC1 (0.52) GRM5TSHRPOLBMEN1KMT2A
SCHEMBL4072248 0.80 POLB (0.47) GRM5TSHRPOLBTP53MEN1
SCHEMBL2701324 0.76 HTT (0.76) TSHRHTTLMNANPC1TP53
SCHEMBL18668934 0.75 CA12 (0.55) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL30879625 0.74 GRM5 (1.00) GRM5
SCHEMBL30255585 0.74 GRM5 (1.00) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 US claimed
EP-1611096-A4 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO INC (US) 2007-08-29 EP claimed
US-20060235069-A1 Benzamide modulators of metabotropic glutamate receptors MERCK SHARP & DOHME CORP. 2006-10-19 US claimed
JP-2006521358-A 2006-09-21 JP claimed
EP-1611096-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co. Inc. (US) 2006-01-04 EP claimed
WO-2004087048-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO. INC. (US) 2004-10-14 WO claimed
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 US disclosed
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 US disclosed
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 US disclosed
US-20060235069-A1 Benzamide modulators of metabotropic glutamate receptors MERCK SHARP & DOHME CORP. 2006-10-19 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-20060235069-A1 Benzamide modulators of metabotropic glutamate receptors GRM5, GRIK5, GRM2 GRM5 1/4885TSHR 477/4885POLB 4325/4885

“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.