SCHEMBL205921

SCHEMBL205921

COC(=O)c1cccc2nc(-c3ccc(-c4cccnc4)cc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.58
CETP P11597 1/20 0.53
ESR2 Q92731 1/20 0.52
HDAC6 Q9UBN7 1/20 0.49
NR4A2 P43354 2/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
F2 P00734 1/20 0.45
ELANE P08246 1/20 0.45
TOP2A P11388 1/20 0.44

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
SCHEMBL205779 0.94 DHODH (0.52) DHODHCETPESR2NR4A2CYP19A1
SCHEMBL203783 0.92 NR4A2 (0.51) DHODHCETPESR2HDAC6NR4A2
SCHEMBL204097 0.88 DHODH (0.60) DHODHCETPESR2HDAC6NR4A2
SCHEMBL204884 0.86 CETP (0.56) DHODHCETPESR2ALDH1A1KDM4E
SCHEMBL9126988 0.85 DHODH (0.70) DHODHCETPESR2ALDH1A1KDM4E
SCHEMBL204513 0.85 DHODH (0.62) DHODHESR2HDAC6ALDH1A1HSD17B10
SCHEMBL205602 0.83 CETP (0.61) DHODHCETPESR2ALDH1A1KDM4E
SCHEMBL23303834 0.83 NAMPT (0.62) CETPESR2HDAC6ALDH1A1KDM4E
SCHEMBL205349 0.83 DHODH (0.53) DHODHCETPESR2NR4A2ALDH1A1
SCHEMBL2957776 0.82 DHODH (0.58) DHODHCETPESR2ALDH1A1KDM4E

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 2441/4885CETP 2602/4885ESR2 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.