SCHEMBL206074

SCHEMBL206074

O=C(O)C(=O)c1cccc2oc(-c3ccncc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
HTR3A P46098 3/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CA P42336 1/20 0.40
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL2961027 0.90 TOP2A (0.54) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL205891 0.85 ALDH1A1 (0.51) TOP2AALDH1A1MAPTKDM4ENPSR1
SCHEMBL206244 0.84 PKN1 (0.52) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL28926584 0.81 TOP2A (0.59) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL121325 0.79 TOP2A (0.65) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL29479757 0.77 CYP2C9 (0.48) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL17929374 0.76 TOP2A (0.83) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL204764 0.75 TOP2A (0.61) TOP2AHTR3AALDH1A1KDM4EHSD17B10
SCHEMBL16383496 0.75 TOP2A (0.54) TOP2AHTR3AALDH1A1MAPTKDM4E
SCHEMBL122514 0.75 ALDH1A1 (0.55) TOP2AALDH1A1MAPTKDM4ENPSR1

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 TOP2A 70/4885HTR3A 2187/4885ALDH1A1 398/4885

“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.