SCHEMBL206525

SCHEMBL206525

NC(=O)c1cccc2oc(-c3ccc(N)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
TOP2A P11388 2/20 0.49
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.42
IKBKB O14920 2/20 0.42
HTR3A P46098 3/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL3710917 0.89 TOP2A (0.58) PARP1RAB9ANPC1TOP2AMAPT
SCHEMBL204764 0.88 TOP2A (0.61) PARP1RAB9ANPC1TOP2ASMN1; SMN2
SCHEMBL206399 0.87 HTR3A (0.53) PARP1RAB9ANPC1MEN1KMT2A
SCHEMBL204524 0.87 PARP1 (0.53) PARP1RAB9ANPC1ATMTOP2A
SCHEMBL205454 0.87 TOP2A (0.48) PARP1RAB9ANPC1TOP2AMAPT
SCHEMBL206391 0.87 PARP1 (0.53) PARP1TOP2ARXFP1IKBKBHTR3A
SCHEMBL206178 0.86 PARP1 (0.54) PARP1RAB9ANPC1MEN1KMT2A
SCHEMBL206244 0.86 PKN1 (0.52) PARP1TOP2AMAPTSMN1; SMN2RXFP1
SCHEMBL1387272 0.84 PARP1 (0.58) PARP1RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL28769336 0.83 PARP1 (0.57) PARP1RAB9ANPC1MEN1KMT2A

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 2 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
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 PARP1 1/4885RAB9A 3649/4885NPC1 2716/4885

“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.