SCHEMBL205349

SCHEMBL205349

COC(=O)c1cccc2nc(-c3cccc(-c4ccncc4)c3)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.53
ESR2 Q92731 1/20 0.50
CETP P11597 2/20 0.49
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
TOP2A P11388 1/20 0.42
NR4A2 P43354 1/20 0.42
AXL P30530 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
VDR P11473 1/20 0.41

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
SCHEMBL204097 0.92 DHODH (0.60) DHODHESR2CETPPKN1PKN2
SCHEMBL204884 0.92 CETP (0.56) DHODHESR2CETPPKN1PKN2
SCHEMBL203783 0.89 NR4A2 (0.51) DHODHESR2CETPNR4A2ALDH1A1
SCHEMBL205159 0.85 CETP (0.45) DHODHESR2CETPPKN1PKN2
SCHEMBL205254 0.84 CETP (0.54) DHODHESR2CETPTOP2AALDH1A1
SCHEMBL205308 0.84 DHODH (0.56) DHODHESR2PKN1PKN2ALDH1A1
SCHEMBL9126988 0.84 DHODH (0.70) DHODHESR2CETPTOP2AALDH1A1
SCHEMBL205779 0.83 DHODH (0.52) DHODHESR2CETPNR4A2ALDH1A1
SCHEMBL205526 0.83 CETP (0.52) DHODHESR2CETPTOP2AAXL
SCHEMBL205921 0.83 DHODH (0.58) DHODHESR2CETPTOP2ANR4A2

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 DHODH 2441/4885ESR2 1492/4885CETP 2602/4885

“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.