SCHEMBL6836845

SCHEMBL6836845

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.62
DHODH Q02127 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6841867 0.90 PARP1 (0.49) PARP1DHODH
SCHEMBL6836935 0.85 PARP1 (0.53) PARP1
SCHEMBL6841485 0.84 PARP1 (0.58) PARP1DHODH
SCHEMBL6836940 0.84 PARP1 (0.58) PARP1DHODH
SCHEMBL6841886 0.83 PARP1 (0.61) PARP1
SCHEMBL6841346 0.83 PARP1 (0.61) PARP1
SCHEMBL7200417 0.83 TP53 (0.44) PARP1DHODHTP53
SCHEMBL6841501 0.81 PARP1 (0.62) PARP1DHODHALDH1A1
SCHEMBL6842026 0.81 PARP1 (0.62) PARP1DHODHSMN1; SMN2KDM4ENPC1
SCHEMBL6836776 0.81 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 1232/4885SMN1; SMN2 593/4885

“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.