SCHEMBL4076114

SCHEMBL4076114

O=C(Nc1cccc(F)c1CN1C(=O)c2ccccc2C1=O)c1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GRM5 P41594 4/20 0.47
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL4078846 0.89 HDAC1 (0.58) HDAC1POLBTSHRKMT2AMEN1
SCHEMBL4072498 0.84 TSHR (0.52) HDAC1POLBTSHRKMT2AMEN1
SCHEMBL4068547 0.81 GRM5 (0.58) HDAC1POLBTSHRKMT2AMEN1
SCHEMBL4081114 0.81 HPGD (0.53) HDAC1POLBTSHRKMT2AMEN1
SCHEMBL4072248 0.80 POLB (0.47) HDAC1POLBTSHRKMT2AMEN1
SCHEMBL4078648 0.76 POLB (0.44) HDAC1POLBTSHRKMT2AMEN1
SCHEMBL18668934 0.75 CA12 (0.55) POLBTSHRKMT2AMEN1CA12
SCHEMBL18669191 0.69 KMT2A (0.62) POLBKMT2AMEN1CA12CA1
SCHEMBL18669045 0.69 MEN1 (0.48) POLBTSHRKMT2AMEN1RAB9A
SCHEMBL1063628 0.68 HDAC1 (1.00) HDAC1KMT2AMEN1CA12CA1

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 HDAC1 560/4885POLB 4325/4885TSHR 477/4885

“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.