SCHEMBL207014

SCHEMBL207014

NC(=O)c1cccc2nc(-c3ccc(C4CCNCC4)cc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.56
PARP2 Q9UGN5 3/20 0.56
DHODH Q02127 2/20 0.51
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HTR3A P46098 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CDC7 O00311 1/20 0.40

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
SCHEMBL206573 0.89 PARP1 (0.47) PARP1PARP2DHODHESR1ESR2
SCHEMBL203990 0.88 PARP1 (0.58) PARP1PARP2DHODHESR1ESR2
SCHEMBL205511 0.83 MAP4K4 (0.49) PARP1PARP2
SCHEMBL204716 0.82 PARP1 (0.58) PARP1PARP2DHODHESR1ESR2
SCHEMBL204714 0.81 PARP1 (0.51) PARP1PARP2CDC7
SCHEMBL206116 0.81 PARP1 (0.52) PARP1PARP2DHODHHTR3A
SCHEMBL205914 0.79 TLR9 (0.47) PARP1PARP2DHODHESR1ESR2
SCHEMBL16495358 0.78 DHODH (0.81) PARP1DHODHESR1ESR2HTR3A
SCHEMBL205836 0.78 PARP1 (0.49) PARP1PARP2DHODHHTR3A
SCHEMBL204887 0.78 DHODH (0.76) PARP1DHODHESR1ESR2HTR3A

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 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
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 2/4885DHODH 2441/4885

“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.