SCHEMBL206237

SCHEMBL206237

CN(Cc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
PARP1 P09874 6/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RPS6KB1 P23443 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
CEPT1 Q9Y6K0 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.37
ABCC1 P33527 1/20 0.36

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
SCHEMBL204279 0.93 TOP2A (0.47) TOP2AALDH1A1HPGDCEPT1CHRNB2
SCHEMBL205689 0.91 TOP2A (0.45) TOP2AALDH1A1HPGDCEPT1CHRNB2
SCHEMBL205413 0.85 DHODH (0.49) PARP1RPS6KB1SIRT2CHRNB2CHRNB4
SCHEMBL205302 0.83 PARP1 (0.58) TOP2APARP1ALDH1A1HPGDRPS6KB1
SCHEMBL206155 0.80 DHODH (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ABCC1
SCHEMBL3710917 0.77 TOP2A (0.58) TOP2APARP1ALDH1A1HPGDHTR3A
SCHEMBL204764 0.77 TOP2A (0.61) TOP2APARP1ALDH1A1PARP2PARP3
SCHEMBL207994 0.76 DHODH (0.47) PARP1ABCC1
SCHEMBL3425536 0.74 TOP2A (0.46) TOP2APARP1ALDH1A1HPGDCEPT1
SCHEMBL205875 0.74 PARP1 (0.58) TOP2APARP1ALDH1A1HPGDPARP2

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 70/4885PARP1 1/4885ALDH1A1 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.