SCHEMBL542273

SCHEMBL542273

CC(=O)NC1CN(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
RIPK1 Q13546 8/20 0.41
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1394234 0.90 RIPK1 (0.41) MTNR1AMTNR1BRIPK1GAAKMT2A
SCHEMBL20580042 0.86 DDB1 (0.51) RIPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL20580043 0.86 DDB1 (0.51) RIPK1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL22363308 0.84 FPR2 (0.50) KMT2AMEN1
SCHEMBL542468 0.84 RIPK1 (0.39) MTNR1AMTNR1BRIPK1GAAKMT2A
SCHEMBL22363306 0.84 EPHX2 (0.46) MTNR1AMTNR1BRIPK1GAAKMT2A
SCHEMBL6827497 0.84 EPHX2 (0.46) MTNR1AMTNR1BRIPK1GAAKMT2A
SCHEMBL6827502 0.84 EPHX2 (0.46) MTNR1AMTNR1BRIPK1GAAKMT2A
SCHEMBL6176791 0.81 NAAA (0.48) GAASMN1; SMN2ALDH1A1
SCHEMBL8893179 0.80 MAPT (0.48) MTNR1AMTNR1BSMN1; SMN2PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 MTNR1A 610/4885MTNR1B 431/4885RIPK1 3978/4885

“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.