SCHEMBL205602

SCHEMBL205602

COC(=O)c1cccc2nc(-c3ccc(C)cc3)oc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.61
DHODH Q02127 1/20 0.59
ESR2 Q92731 2/20 0.58
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
HTR3A P46098 1/20 0.47

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
SCHEMBL9126988 0.89 DHODH (0.70) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL2957208 0.88 CETP (0.60) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL2959887 0.88 HTR3A (0.58) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL21794368 0.88 DHODH (0.58) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL2957776 0.88 DHODH (0.58) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL204097 0.87 DHODH (0.60) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL205254 0.87 CETP (0.54) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL204884 0.87 CETP (0.56) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL24871288 0.86 CETP (0.58) CETPDHODHESR2KDM4EHSD17B10
SCHEMBL3920472 0.85 CETP (0.55) CETPDHODHESR2KDM4EHSD17B10

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
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 CETP 2602/4885DHODH 2441/4885ESR2 1492/4885

“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.