SCHEMBL6841867

SCHEMBL6841867

CCC(=O)Nc1ccc(SCc2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.49
DHODH Q02127 2/20 0.49
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
EZH2 Q15910 1/20 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
SCHEMBL6842038 0.91 DHODH (0.43) PARP1DHODHMEN1MAPTKMT2A
SCHEMBL6836845 0.90 PARP1 (0.62) PARP1DHODH
SCHEMBL6836935 0.84 PARP1 (0.53) PARP1
SCHEMBL6841485 0.82 PARP1 (0.58) PARP1DHODH
SCHEMBL6836940 0.82 PARP1 (0.58) PARP1DHODH
SCHEMBL6841886 0.81 PARP1 (0.61) PARP1
SCHEMBL6841346 0.81 PARP1 (0.61) PARP1
SCHEMBL7200417 0.81 TP53 (0.44) PARP1DHODHMAPT
SCHEMBL6843633 0.81 PARP1 (0.51) PARP1DHODHEZH2
SCHEMBL6836776 0.79 PARP1 (0.61) 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 1/4885DHODH 1232/4885MEN1 2975/4885

“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.