SCHEMBL205133

SCHEMBL205133

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.56
DHODH Q02127 1/20 0.52
ESR2 Q92731 2/20 0.52
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HTR3A P46098 4/20 0.43
TOP2A P11388 1/20 0.42
ESR1 P03372 1/20 0.42
PARP1 P09874 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL207330 0.91 CETP (0.54) CETPDHODHESR2HPGDHSD17B10
SCHEMBL206425 0.89 CETP (0.49) CETPDHODHESR2HPGDHSD17B10
SCHEMBL24871288 0.87 CETP (0.58) CETPDHODHESR2HPGDHSD17B10
SCHEMBL205917 0.86 CETP (0.57) CETPDHODHESR2HPGDHSD17B10
SCHEMBL206779 0.86 DHODH (0.54) CETPDHODHESR2HPGDHSD17B10
SCHEMBL206427 0.85 CETP (0.56) CETPDHODHESR2HPGDHSD17B10
SCHEMBL206340 0.84 CETP (0.56) CETPDHODHESR2HPGDHSD17B10
SCHEMBL205888 0.84 ESR2 (0.57) CETPESR2HPGDHSD17B10KDM4E
SCHEMBL205602 0.83 CETP (0.61) CETPDHODHESR2HPGDHSD17B10
SCHEMBL9126988 0.83 DHODH (0.70) CETPDHODHESR2HPGDHSD17B10

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.