SCHEMBL206520

SCHEMBL206520

COC(=O)c1cccc2nc(-c3cccc(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)oc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
KMT2A Q03164 5/20 0.49
HSP90AA1 P07900 1/20 0.49
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
CETP P11597 1/20 0.42
MGLL Q99685 3/20 0.41
HTR3A P46098 2/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
DHODH Q02127 1/20 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
SCHEMBL205368 0.88 ACACB (0.47) NPC1RAB9AKMT2AHSP90AA1ACACB
SCHEMBL204994 0.86 RAB9A (0.43) NPC1RAB9AKMT2AHSP90AA1CETP
SCHEMBL206954 0.75 RBP4 (0.57) KMT2AMEN1ALDH1A1GAA
SCHEMBL208046 0.75 NPC1 (0.43) NPC1RAB9AKMT2AHSP90AA1MGLL
SCHEMBL205254 0.75 CETP (0.54) NPC1RAB9ACETPALDH1A1HPGD
SCHEMBL9126988 0.74 DHODH (0.70) NPC1RAB9AKMT2ACETPHTR3A
SCHEMBL205526 0.74 CETP (0.52) NPC1RAB9AKMT2ACETPHTR3A
SCHEMBL206621 0.72 MEN1 (0.48) KMT2ACETPHTR3AMEN1ESR2
SCHEMBL203783 0.72 NR4A2 (0.51) NPC1RAB9AKMT2ACETPALDH1A1
SCHEMBL205349 0.72 DHODH (0.53) NPC1RAB9AKMT2ACETPHTR3A

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 NPC1 2716/4885RAB9A 3649/4885KMT2A 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.