SCHEMBL6841501

SCHEMBL6841501

CC(=O)Nc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.62
DHODH Q02127 4/20 0.62
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 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
SCHEMBL6836782 0.88 RAB9A (0.48) PARP1DHODHKMT2AALDH1A1MAPT
SCHEMBL6841509 0.84 PARP1 (0.56) PARP1DHODHKMT2AALDH1A1MAPT
SCHEMBL6842016 0.83 PARP1 (0.61) PARP1KMT2A
SCHEMBL6836845 0.81 PARP1 (0.62) PARP1DHODHALDH1A1
SCHEMBL6841348 0.80 PARP1 (0.62) PARP1KMT2AALDH1A1MAPT
SCHEMBL6842026 0.74 PARP1 (0.62) PARP1DHODHALDH1A1
SCHEMBL6836770 0.74 RAB9A (0.59) PARP1KMT2AALDH1A1
SCHEMBL6836841 0.74 PARP1 (0.64) PARP1DHODH
SCHEMBL6842031 0.74 PARP1 (0.66) PARP1DHODH
SCHEMBL5622271 0.73 PARP1 (0.67) PARP1DHODH

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 1232/4885KMT2A 1537/4885

“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.