SCHEMBL205243

SCHEMBL205243

NC(=O)c1cccc2nc(C3CCN4CCC=CC4C3)oc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
PARP1 P09874 5/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 2/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
POLB P06746 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
HTR3A P46098 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
SCHEMBL207197 0.85 HTR3A (0.43) LMNAPARP1HTR2BKCNH2PARP2
SCHEMBL205997 0.80 PARP1 (0.51) PARP1PARP2HTR3A
SCHEMBL4183890 0.74 PARP1 (0.65) PARP1PARP2
SCHEMBL203957 0.73 PARP1 (0.57) LMNAPARP1POLBPARP2
SCHEMBL204714 0.72 PARP1 (0.51) PARP1PARP2
SCHEMBL3400558 0.72 DRD4 (0.47) LMNAPARP1USP2PARP2NPSR1
SCHEMBL206773 0.72 PARP1 (0.49) PARP1KCNH2PARP2
SCHEMBL205786 0.71 PARP1 (0.49) LMNAPARP1PARP2HTR3A
SCHEMBL207485 0.71 PARP1 (0.50) LMNAPARP1POLBPARP2
SCHEMBL205714 0.71 PARP1 (0.49) LMNAPARP1KCNH2POLBPARP2

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 6 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
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 LMNA 154/4885PARP1 1/4885USP2 3202/4885

“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.