SCHEMBL206411

SCHEMBL206411

CCCN1CCCC(c2ccc(-c3nc4cccc(C(N)=O)c4o3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
PARP2 Q9UGN5 2/20 0.47
DRD3 P35462 4/20 0.47
DRD4 P21917 3/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR3A P46098 3/20 0.45
SIGMAR1 Q99720 3/20 0.44
NFKB1 P19838 1/20 0.44
PRCP P42785 1/20 0.44
EBP Q15125 1/20 0.44

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
SCHEMBL206116 0.90 PARP1 (0.52) PARP1PARP2DRD2HTR3A
SCHEMBL206489 0.85 PARP1 (0.50) PARP1PARP2DRD3DRD4DRD2
SCHEMBL206544 0.83 PARP1 (0.43) PARP1PARP2HTR3A
SCHEMBL203990 0.78 PARP1 (0.58) PARP1PARP2HTR3A
SCHEMBL205914 0.77 TLR9 (0.47) PARP1PARP2HTR3A
SCHEMBL207014 0.76 PARP1 (0.56) PARP1PARP2HTR3A
SCHEMBL208002 0.76 PARP1 (0.47) PARP1PARP2DRD3DRD2SIGMAR1
SCHEMBL203957 0.76 PARP1 (0.57) PARP1PARP2DRD2
SCHEMBL5621054 0.73 PARP1 (0.63) PARP1PARP2DRD3
Hydrochloric Acid SCHEMBL18614332 0.72 PARP1 (0.62) PARP1PARP2DRD3

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 2/4885DRD3 4632/4885

“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.