SCHEMBL203783

SCHEMBL203783

COC(=O)c1cccc2nc(-c3cccc(-c4cccnc4)c3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.51
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
ESR2 Q92731 1/20 0.48
DHODH Q02127 2/20 0.48
CETP P11597 1/20 0.48
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC2A1 P11166 1/20 0.45
MAPT P10636 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
F2 P00734 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 1/20 0.43

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 0.93 DHODH (0.52) NR4A2CYP19A1CYP11B1CYP11B2ESR2
SCHEMBL205921 0.92 DHODH (0.58) NR4A2CYP19A1CYP11B1CYP11B2ESR2
SCHEMBL205349 0.89 DHODH (0.53) NR4A2ESR2DHODHCETPKDM4E
SCHEMBL205583 0.85 MKNK1 (0.51) ESR2DHODHKDM4EALDH1A1F2
SCHEMBL205254 0.82 CETP (0.54) ESR2DHODHCETPKDM4ENPC1
SCHEMBL204884 0.82 CETP (0.56) ESR2DHODHCETPKDM4ENPC1
SCHEMBL9126988 0.82 DHODH (0.70) ESR2DHODHCETPKDM4ENPC1
SCHEMBL205526 0.81 CETP (0.52) ESR2DHODHCETPKDM4ENPC1
SCHEMBL204097 0.80 DHODH (0.60) NR4A2ESR2DHODHCETPKDM4E
SCHEMBL205253 0.79 CYP4F2 (0.51) ESR2DHODHCETPKDM4ENPC1

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 NR4A2 2770/4885CYP19A1 328/4885CYP11B1 327/4885

“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.