SCHEMBL4300461

SCHEMBL4300461

COc1cc2c(cc1OC)N(C(C)=O)C(c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 7/20 0.46
GAA P10253 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 3/20 0.42
CASP1 P29466 3/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
GLA P06280 2/20 0.40
CASP7 P55210 2/20 0.40
CYP3A4 P08684 1/20 0.40
KLK7 P49862 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4291113 0.90 MEN1 (0.49) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4290980 0.88 MEN1 (0.48) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4296680 0.88 MEN1 (0.47) KMT2AMEN1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4287691 0.85 MEN1 (0.62) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4287151 0.85 MEN1 (0.50) KMT2AMEN1ALDH1A1HSD17B10CASP1
SCHEMBL4287200 0.85 MEN1 (0.50) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4289896 0.84 MEN1 (0.48) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4287067 0.84 MEN1 (0.48) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL14583092 0.84 MEN1 (0.49) KMT2AMEN1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13704122 0.83 MEN1 (0.47) KMT2AMEN1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
WO-2007026024-A2 BENZODIAZEPINES AS HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-03-08 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-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 KMT2A 1440/4885MEN1 4829/4885ALDH1A1 372/4885

“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.