SCHEMBL205454

SCHEMBL205454

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.48
RXFP1 Q9HBX9 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 6/20 0.43
HTR3A P46098 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL205351 0.89 TOP2A (0.53) TOP2ARXFP1HDAC6MAPTSMN1; SMN2
SCHEMBL3710917 0.87 TOP2A (0.58) TOP2AMAPTSMN1; SMN2PARP1HTR3A
SCHEMBL206525 0.87 PARP1 (0.52) TOP2ARXFP1MAPTSMN1; SMN2PARP1
SCHEMBL204764 0.87 TOP2A (0.61) TOP2ASMN1; SMN2PARP1HTR3AKDM4E
SCHEMBL206391 0.86 PARP1 (0.53) TOP2ARXFP1PARP1HTR3A
SCHEMBL204524 0.86 PARP1 (0.53) TOP2ARXFP1MAPTSMN1; SMN2PARP1
SCHEMBL206399 0.86 HTR3A (0.53) TOP2AHDAC6MAPTPARP1HTR3A
SCHEMBL206244 0.84 PKN1 (0.52) TOP2ARXFP1MAPTSMN1; SMN2PARP1
SCHEMBL1387272 0.83 PARP1 (0.58) TOP2ARXFP1HDAC6MAPTSMN1; SMN2
SCHEMBL208169 0.82 PARP1 (0.57) TOP2AMAPTSMN1; SMN2PARP1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO 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 (2 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TOP2A 20/4885RXFP1 4484/4885HDAC6 300/4885
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 TOP2A 70/4885RXFP1 2207/4885HDAC6 76/4885

“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.