SCHEMBL205779

SCHEMBL205779

COC(=O)c1cccc2nc(-c3cccnc3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
F2 P00734 1/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 1/20 0.51
CETP P11597 1/20 0.51
ELANE P08246 1/20 0.50
ESR2 Q92731 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NR4A2 P43354 1/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45

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
SCHEMBL205921 0.94 DHODH (0.58) DHODHF2KDM4EALDH1A1NPC1
SCHEMBL203783 0.93 NR4A2 (0.51) DHODHF2KDM4EALDH1A1NPC1
SCHEMBL204884 0.86 CETP (0.56) DHODHKDM4EALDH1A1NPC1CETP
SCHEMBL9126988 0.86 DHODH (0.70) DHODHF2KDM4EALDH1A1NPC1
SCHEMBL204097 0.84 DHODH (0.60) DHODHKDM4EALDH1A1NPC1CETP
SCHEMBL205134 0.84 IKBKB (0.56) DHODHF2KDM4EALDH1A1NPC1
SCHEMBL205349 0.83 DHODH (0.53) DHODHF2KDM4EALDH1A1NPC1
SCHEMBL23303834 0.81 NAMPT (0.62) KDM4EALDH1A1NPC1MAPK1CETP
SCHEMBL205254 0.81 CETP (0.54) DHODHKDM4EALDH1A1NPC1CETP
SCHEMBL205602 0.81 CETP (0.61) DHODHKDM4EALDH1A1NPC1CETP

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 2441/4885F2 633/4885KDM4E 1650/4885

“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.