SCHEMBL206531

SCHEMBL206531

NC(=O)c1cccc2nc(C3CNCC4(CC4)O3)oc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.35
PARP2 Q9UGN5 5/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DHODH Q02127 1/20 0.32
TNKS O95271 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP12 Q9H0J9 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP4 Q9UKK3 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31

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
SCHEMBL207342 0.83 PARP1 (0.42) PARP1PARP2TNKSPARP14PARP10
SCHEMBL206072 0.80 KDM4E (0.38) PARP1PARP2KDM4EALDH1A1DHODH
SCHEMBL206166 0.78 PARP1 (0.37) PARP1PARP2KDM4EALDH1A1TNKS
SCHEMBL204089 0.78 PARP1 (0.41) PARP1PARP2TNKSPARP14PARP10
SCHEMBL206773 0.78 PARP1 (0.49) PARP1PARP2KDM4EALDH1A1DHODH
SCHEMBL203819 0.77 PARP1 (0.40) PARP1PARP2TNKSPARP14PARP10
SCHEMBL4194880 0.74 PARP1 (0.61) PARP1PARP2
SCHEMBL205983 0.73 PARP1 (0.36) PARP1PARP2KDM4EALDH1A1DHODH
SCHEMBL205061 0.73 PARP1 (0.44) PARP1PARP2TNKSPARP14PARP10
SCHEMBL204714 0.73 PARP1 (0.51) PARP1PARP2KDM4EALDH1A1

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 8 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 claimed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
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.