SCHEMBL208046

SCHEMBL208046

CC(C)C(=O)N1CCN(C(=O)c2cccc(-c3nc4cccc(C(N)=O)c4o3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
DHODH Q02127 1/20 0.42
MGLL Q99685 8/20 0.41
PARP1 P09874 2/20 0.41
PIK3CD O00329 1/20 0.41
HTR3A P46098 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL204994 0.89 RAB9A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL205368 0.85 ACACB (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL206520 0.75 NPC1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL17705605 0.73 FASN (0.61) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL204887 0.72 DHODH (0.76) NPC1RAB9AALDH1A1DHODHPARP1
SCHEMBL205848 0.72 DHODH (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL206588 0.71 PARP1 (0.57) NPC1RAB9ADHODHPARP1HTR3A
SCHEMBL16495358 0.70 DHODH (0.81) NPC1RAB9ADHODHPARP1HTR3A
SCHEMBL205308 0.70 DHODH (0.56) ALDH1A1HPGDSMN1; SMN2DHODHPARP1
SCHEMBL205516 0.69 PARP1 (0.54) KMT2ADHODHPARP1PIK3CD

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 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
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.