SCHEMBL205368

SCHEMBL205368

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.47
ACACA Q13085 5/20 0.47
PARP1 P09874 3/20 0.47
JAK2 O60674 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HSP90AA1 P07900 1/20 0.43
DHODH Q02127 1/20 0.42
FASN P49327 1/20 0.41
MGLL Q99685 5/20 0.41
PARP2 Q9UGN5 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
SCHEMBL206520 0.88 NPC1 (0.49) ACACBACACANPC1RAB9AKMT2A
SCHEMBL208046 0.85 NPC1 (0.43) PARP1NPC1RAB9AKMT2AMEN1
SCHEMBL204994 0.74 RAB9A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL17705605 0.73 FASN (0.61) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL204887 0.72 DHODH (0.76) PARP1NPC1RAB9AALDH1A1DHODH
SCHEMBL205848 0.72 DHODH (0.53) PARP1NPC1RAB9AKMT2AMEN1
SCHEMBL206573 0.71 PARP1 (0.47) PARP1DHODHPARP2
SCHEMBL206588 0.71 PARP1 (0.57) PARP1NPC1RAB9ADHODHPARP2
SCHEMBL205583 0.71 MKNK1 (0.51) PARP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL16495358 0.70 DHODH (0.81) PARP1NPC1RAB9ADHODH

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 6 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 claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
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 ACACB 267/4885ACACA 188/4885PARP1 1/4885

“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.