SCHEMBL203963

SCHEMBL203963

NC(=O)c1cccc2oc([C@@]34CC[C@H](CN3C3CCCCC3)C4)nc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.42
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ESR2 Q92731 1/20 0.38
PARP2 Q9UGN5 2/20 0.36
HTR3A P46098 4/20 0.35
KCNH2 Q12809 1/20 0.35
CD38 P28907 1/20 0.35

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
SCHEMBL203962 1.00 PARP1 (0.42) PARP1POLBHTTESR2PARP2
SCHEMBL206122 0.95 PARP1 (0.39) PARP1PARP2HTR3AKCNH2
SCHEMBL206123 0.95 PARP1 (0.39) PARP1PARP2HTR3AKCNH2
SCHEMBL204307 0.86 KDM4E (0.38) PARP1POLBHTTESR2PARP2
SCHEMBL204306 0.86 KDM4E (0.38) PARP1POLBHTTESR2PARP2
SCHEMBL206092 0.84 PARP1 (0.39) PARP1PARP2HTR3A
SCHEMBL206093 0.84 PARP1 (0.39) PARP1PARP2HTR3A
SCHEMBL204309 0.81 PARP1 (0.39) PARP1PARP2HTR3A
SCHEMBL204310 0.81 PARP1 (0.39) PARP1PARP2HTR3A
SCHEMBL3425455 0.81 PARP1 (0.35) PARP1POLBHTTESR2PARP2

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 2 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
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 1/4885POLB 27/4885HTT 1453/4885

“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.