SCHEMBL4291810

SCHEMBL4291810

CC(=O)N1c2ccc(CN3CCOCC3)cc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.38
KLK7 P49862 1/20 0.38
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37

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
SCHEMBL14582914 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL4293980 0.93 MEN1 (0.44) MEN1KMT2AKDM4EHSD17B10BRD4
SCHEMBL4295874 0.92 MEN1 (0.44) MEN1KMT2AKDM4EHSD17B10BRD4
SCHEMBL4287190 0.89 NPSR1 (0.41) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL4297184 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4298495 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4292857 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13704126 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13704086 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13704128 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA

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 3 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

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 MEN1 4829/4885KMT2A 1440/4885ALDH1A1 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.