SCHEMBL3710917

SCHEMBL3710917

NC(=O)c1cccc2oc(-c3ccc(-c4ccccc4)cc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.58
DHODH Q02127 2/20 0.52
PARP1 P09874 8/20 0.52
IKBKB O14920 2/20 0.49
HTR3A P46098 1/20 0.48
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCAT2 O15382 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL204764 0.97 TOP2A (0.61) TOP2ADHODHPARP1IKBKBHTR3A
SCHEMBL206525 0.89 PARP1 (0.52) TOP2APARP1IKBKBHTR3AKDM4E
SCHEMBL206391 0.87 PARP1 (0.53) TOP2APARP1IKBKBHTR3A
SCHEMBL205454 0.87 TOP2A (0.48) TOP2APARP1HTR3AKDM4EHSD17B10
SCHEMBL206399 0.87 HTR3A (0.53) TOP2APARP1HTR3AKDM4EHSD17B10
SCHEMBL204524 0.87 PARP1 (0.53) TOP2APARP1IKBKBHTR3AKDM4E
SCHEMBL3781416 0.87 PARP1 (0.58) TOP2ADHODHPARP1IKBKBHSD17B10
SCHEMBL121325 0.86 TOP2A (0.65) TOP2ADHODHIKBKBHTR3AKDM4E
SCHEMBL206244 0.86 PKN1 (0.52) TOP2APARP1HTR3AKDM4EHSD17B10
SCHEMBL28926584 0.85 TOP2A (0.59) TOP2ADHODHPARP1HTR3AKDM4E

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 3 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TOP2A 20/4885DHODH 734/4885PARP1 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.