SCHEMBL4078648

SCHEMBL4078648

CC(=O)Oc1ccccc1C(=O)Nc1cccc(F)c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GRM5 P41594 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CASP3 P42574 1/20 0.41
ABCB1 P08183 1/20 0.40
MAPT P10636 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL4072498 0.86 TSHR (0.52) POLBTSHRKMT2AMEN1HTT
SCHEMBL4068547 0.83 GRM5 (0.58) POLBTSHRKMT2AMEN1HTT
SCHEMBL4081114 0.82 HPGD (0.53) POLBTSHRKMT2AMEN1HTT
SCHEMBL4078846 0.79 HDAC1 (0.58) POLBTSHRKMT2AMEN1HTT
SCHEMBL4076114 0.76 HDAC1 (0.52) POLBTSHRKMT2AMEN1HDAC1
SCHEMBL26965151 0.76 PKM (0.47) POLBTSHRKMT2AMEN1PKM
SCHEMBL4072248 0.74 POLB (0.47) POLBTSHRKMT2AMEN1HDAC1
SCHEMBL22033199 0.70 CASP3 (0.69) POLBKMT2AMEN1HTTALDH1A1
SCHEMBL18668934 0.70 CA12 (0.55) POLBTSHRKMT2AMEN1PKM
SCHEMBL167923 0.70 MAPT (0.53) TSHRKMT2AMEN1TDP1ALDH1A1

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 5 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 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
WO-2004087048-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO. INC. (US) 2004-10-14 WO 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 POLB 4325/4885TSHR 477/4885KMT2A 984/4885

“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.