SCHEMBL206166

SCHEMBL206166

NC(=O)c1cccc2nc(C3COC4(CC4)CN3)oc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.37
PARP2 Q9UGN5 5/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PARP3 Q9Y6F1 2/20 0.33
TNKS O95271 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP12 Q9H0J9 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP4 Q9UKK3 1/20 0.33

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
SCHEMBL205288 0.83 PARP1 (0.43) PARP1PARP2PARP3TNKSPARP14
SCHEMBL205061 0.82 PARP1 (0.44) PARP1PARP2PARP3TNKSPARP14
SCHEMBL204845 0.80 PARP1 (0.46) PARP1PARP2PARP3TNKSPARP14
SCHEMBL206531 0.78 PARP1 (0.35) PARP1PARP2KDM4EALDH1A1PARP3
SCHEMBL206527 0.77 PARP1 (0.44) PARP1PARP2PARP3TNKSPARP14
SCHEMBL206186 0.76 PARP1 (0.40) PARP1PARP2KDM4EALDH1A1PARP3
SCHEMBL4192488 0.76 PARP1 (0.63) PARP1PARP2
SCHEMBL204471 0.76 PARP1 (0.56) PARP1PARP2PARP3
SCHEMBL205145 0.75 PARP1 (0.45) PARP1PARP2PARP3TNKSPARP14
SCHEMBL205740 0.75 PARP1 (0.41) PARP1PARP2KDM4EALDH1A1PARP3

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 PARP1 1/4885PARP2 2/4885KDM4E 1650/4885

“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.