SCHEMBL6842041

SCHEMBL6842041

NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc(NC(=O)OCc4ccccc4)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
DHODH Q02127 3/20 0.44
NAMPT P43490 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
ROCK2 O75116 1/20 0.42
JAK2 O60674 1/20 0.41
TGM2 P21980 1/20 0.41
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 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
SCHEMBL6836719 0.87 PARP1 (0.51) PARP1DHODH
SCHEMBL6841505 0.85 PARP1 (0.52) PARP1DHODHROCK2
SCHEMBL6842026 0.84 PARP1 (0.62) PARP1DHODHTP53
SCHEMBL7200417 0.83 TP53 (0.44) PARP1DHODHTP53MAPTPOLB
SCHEMBL6842040 0.82 PARP1 (0.49) PARP1DHODHROCK2
SCHEMBL6843633 0.81 PARP1 (0.51) PARP1DHODH
SCHEMBL6841926 0.80 PARP1 (0.57) PARP1DHODHROCK2
SCHEMBL6841890 0.77 PARP1 (0.52) PARP1DHODHROCK2
SCHEMBL6842032 0.77 PARP1 (0.60) PARP1
SCHEMBL6841127 0.75 PARP1 (0.62) PARP1DHODHMAPTPOLBROCK2

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 1/4885DHODH 1232/4885NAMPT 60/4885

“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.