SCHEMBL6842032

SCHEMBL6842032

COc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.60
PLA2G2A P14555 1/20 0.60
ALOX15 P16050 1/20 0.60
PTGS2 P35354 1/20 0.60
CHEK2 O96017 1/20 0.46
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45

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
SCHEMBL6841890 0.88 PARP1 (0.52) PARP1CHEK2PKN1PKN2
SCHEMBL6841926 0.86 PARP1 (0.57) PARP1CHEK2PKN1PKN2
SCHEMBL6836719 0.85 PARP1 (0.51) PARP1PLA2G2AALOX15PTGS2
SCHEMBL6842026 0.84 PARP1 (0.62) PARP1
SCHEMBL6841889 0.83 PARP1 (0.60) PARP1CHEK2PKN1PKN2
SCHEMBL6841127 0.83 PARP1 (0.62) PARP1CHEK2PKN1PKN2
SCHEMBL6841505 0.83 PARP1 (0.52) PARP1CHEK2PKN1PKN2
SCHEMBL8620143 0.82 PARP1 (0.65) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL6843633 0.81 PARP1 (0.51) PARP1
SCHEMBL6842040 0.80 PARP1 (0.49) PARP1

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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 US disclosed
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 WO 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 PARP1 1/4885PLA2G2A 3293/4885ALOX15 2138/4885

“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.