SCHEMBL206544

SCHEMBL206544

CN(C)CC(=O)N1CCCC(c2ccc(-c3nc4cccc(C(N)=O)c4o3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
PARP2 Q9UGN5 4/20 0.43
DHODH Q02127 1/20 0.41
HTR3A P46098 4/20 0.40
TLR9 Q9NR96 4/20 0.39
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MET P08581 1/20 0.37
HSD11B1 P28845 2/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL205914 0.91 TLR9 (0.47) PARP1PARP2DHODHHTR3ATLR9
SCHEMBL206833 0.86 PARP1 (0.39) PARP1HSD11B1
SCHEMBL206411 0.83 PARP1 (0.47) PARP1PARP2HTR3A
SCHEMBL206116 0.77 PARP1 (0.52) PARP1PARP2DHODHHTR3A
SCHEMBL203990 0.76 PARP1 (0.58) PARP1PARP2DHODHHTR3AESR1
SCHEMBL207014 0.74 PARP1 (0.56) PARP1PARP2DHODHHTR3AESR1
SCHEMBL206779 0.73 DHODH (0.54) PARP1PARP2DHODHHTR3AESR1
SCHEMBL3529640 0.72 PAX8 (0.45)
SCHEMBL205968 0.71 DHODH (0.52) PARP1PARP2DHODHHTR3AESR1
SCHEMBL204716 0.70 PARP1 (0.58) PARP1PARP2DHODHHTR3AESR1

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 1/4885PARP2 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.