SCHEMBL204994

SCHEMBL204994

COC(=O)c1cccc2nc(-c3cccc(C(=O)N4CCN(C(=O)C(C)C)CC4)c3)oc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 4/20 0.43
HSP90AA1 P07900 1/20 0.43
CETP P11597 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 1/20 0.41
MGLL Q99685 9/20 0.41
HTR3A P46098 2/20 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
SCHEMBL208046 0.89 NPC1 (0.43) RAB9ANPC1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL206520 0.86 NPC1 (0.49) RAB9ANPC1KMT2AHSP90AA1CETP
SCHEMBL205254 0.75 CETP (0.54) RAB9ANPC1CETPSMN1; SMN2ALDH1A1
SCHEMBL9126988 0.75 DHODH (0.70) RAB9ANPC1KMT2ACETPSMN1; SMN2
SCHEMBL206262 0.75 RBP4 (0.52) KMT2AMEN1ALDH1A1MAPK1
SCHEMBL205526 0.74 CETP (0.52) RAB9ANPC1KMT2ACETPSMN1; SMN2
SCHEMBL205368 0.74 ACACB (0.47) RAB9ANPC1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL206621 0.73 MEN1 (0.48) KMT2ACETPMEN1ESR2DHODH
SCHEMBL205349 0.73 DHODH (0.53) RAB9ANPC1KMT2ACETPSMN1; SMN2
SCHEMBL17705605 0.72 FASN (0.61) RAB9ANPC1KMT2AHSP90AA1SMN1; SMN2

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 RAB9A 3649/4885NPC1 2716/4885KMT2A 1186/4885

“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.