SCHEMBL206116

SCHEMBL206116

CCCN1CCC(c2ccc(-c3nc4cccc(C(N)=O)c4o3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.52
PARP2 Q9UGN5 3/20 0.51
HTR3A P46098 4/20 0.45
DHODH Q02127 1/20 0.45
DRD2 P14416 5/20 0.44
SLC6A4 P31645 2/20 0.42

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
SCHEMBL206411 0.90 PARP1 (0.47) PARP1PARP2HTR3ADRD2
SCHEMBL208002 0.86 PARP1 (0.47) PARP1PARP2DRD2SLC6A4
SCHEMBL203957 0.84 PARP1 (0.57) PARP1PARP2DRD2SLC6A4
SCHEMBL205914 0.83 TLR9 (0.47) PARP1PARP2HTR3ADHODH
SCHEMBL207014 0.81 PARP1 (0.56) PARP1PARP2HTR3ADHODH
SCHEMBL207485 0.78 PARP1 (0.50) PARP1PARP2
SCHEMBL205714 0.77 PARP1 (0.49) PARP1PARP2DRD2
SCHEMBL206544 0.77 PARP1 (0.43) PARP1PARP2HTR3ADHODH
SCHEMBL203990 0.76 PARP1 (0.58) PARP1PARP2HTR3ADHODHSLC6A4
SCHEMBL206489 0.75 PARP1 (0.50) PARP1PARP2DRD2

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
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
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 2/4885HTR3A 2187/4885

“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.