SCHEMBL205891

SCHEMBL205891

O=C(O)C(=O)c1cccc2oc(-c3cccnc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 10/20 0.48
TOP2A P11388 1/20 0.48
IKBKB O14920 1/20 0.46
MAPT P10636 3/20 0.44
F2 P00734 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL122514 0.91 ALDH1A1 (0.55) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL205783 0.86 IKBKB (0.56) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL206074 0.85 TOP2A (0.51) ALDH1A1HSD17B10KDM4ETOP2AMAPT
SCHEMBL3781416 0.80 PARP1 (0.58) ALDH1A1HSD17B10MEN1KMT2ATOP2A
SCHEMBL17929373 0.78 TOP2A (0.78) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL121325 0.76 TOP2A (0.65) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL2961027 0.75 TOP2A (0.54) ALDH1A1HSD17B10KDM4ETOP2AMAPT
SCHEMBL28926584 0.74 TOP2A (0.59) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL28246474 0.73 IKBKB (0.54) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL204764 0.72 TOP2A (0.61) ALDH1A1HSD17B10KDM4ETOP2AIKBKB

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 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 ALDH1A1 398/4885HSD17B10 1316/4885MEN1 3535/4885

“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.