SCHEMBL4081114

SCHEMBL4081114

O=C(Nc1cccc(F)c1CN1C(=O)c2ccccc2C1=O)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRM5 P41594 4/20 0.49
CASP3 P42574 1/20 0.48
HDAC1 Q13547 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.44

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 0.91 TSHR (0.52) HPGDHTTKDM4EALDH1A1MEN1
SCHEMBL4068547 0.87 GRM5 (0.58) HPGDHTTKDM4EALDH1A1MEN1
SCHEMBL4078846 0.83 HDAC1 (0.58) HPGDHTTALDH1A1MEN1KMT2A
SCHEMBL4078648 0.82 POLB (0.44) HPGDHTTKDM4EALDH1A1MEN1
SCHEMBL4076114 0.81 HDAC1 (0.52) MEN1KMT2AGRM5HDAC1POLB
SCHEMBL4072248 0.79 POLB (0.47) MEN1KMT2AGRM5HDAC1POLB
SCHEMBL18669191 0.79 KMT2A (0.62) ALDH1A1MEN1KMT2ACASP3POLB
SCHEMBL1308014 0.77 HPGD (0.68) HPGDHTTKDM4EALDH1A1KMT2A
SCHEMBL18668934 0.74 CA12 (0.55) ALDH1A1MEN1KMT2ACASP3POLB
SCHEMBL7895361 0.71 CASP3 (0.53) HTTALDH1A1MEN1KMT2ACYP1A2

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 9 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

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 HPGD 2829/4885HTT 541/4885KDM4E 1368/4885

“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.