SCHEMBL6841348

SCHEMBL6841348

NC(=O)c1cccc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.62
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CTSB P07858 1/20 0.50
POLB P06746 3/20 0.49

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
SCHEMBL6836732 0.86 MAPT (0.58) PARP1MAPTSMN1; SMN2NPC1LMNA
SCHEMBL6841509 0.85 PARP1 (0.56) PARP1MAPTSMN1; SMN2NPC1TP53
SCHEMBL6842016 0.81 PARP1 (0.61) PARP1SMN1; SMN2NPC1LMNATP53
SCHEMBL6836755 0.80 PARP1 (0.62) PARP1MAPTNPC1RAB9AALDH1A1
SCHEMBL6841501 0.80 PARP1 (0.62) PARP1MAPTALDH1A1KMT2A
SCHEMBL7319465 0.77 PARP1 (1.00) PARP1
SCHEMBL29411909 0.77 PARP1 (1.00) PARP1
SCHEMBL6841856 0.74 PARP1 (0.62) PARP1
SCHEMBL6841127 0.74 PARP1 (0.62) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6836754 0.73 PARP1 (0.65) 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 1 patent. 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

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 1/4885MAPT 633/4885SMN1; 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.