SCHEMBL6842016

SCHEMBL6842016

COc1ccc(CSc2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.61
PLA2G2A P14555 1/20 0.61
ALOX15 P16050 1/20 0.61
PTGS2 P35354 1/20 0.61
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
KMT2A Q03164 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 1/20 0.58
CYP2E1 P05181 2/20 0.51
CYP2C8 P10632 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2B6 P20813 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL6836770 0.89 RAB9A (0.59) PARP1PLA2G2AALOX15PTGS2MEN1
SCHEMBL6841509 0.86 PARP1 (0.56) PARP1MEN1NPC1RAB9AKMT2A
SCHEMBL6841501 0.83 PARP1 (0.62) PARP1KMT2A
SCHEMBL6841348 0.81 PARP1 (0.62) PARP1MEN1NPC1RAB9AKMT2A
SCHEMBL8620143 0.81 PARP1 (0.65) PARP1PLA2G2AALOX15PTGS2HDAC3
SCHEMBL6841346 0.80 PARP1 (0.61) PARP1PLA2G2AALOX15PTGS2
SCHEMBL422324 0.78 PARP1 (0.58) PARP1PLA2G2AALOX15PTGS2
SCHEMBL7319077 0.76 PARP1 (1.00) PARP1PLA2G2AALOX15PTGS2
SCHEMBL6836782 0.75 RAB9A (0.48) PARP1MEN1NPC1RAB9AKMT2A
SCHEMBL6842031 0.75 PARP1 (0.66) PARP1PLA2G2AALOX15PTGS2

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 1/4885PLA2G2A 3293/4885ALOX15 2138/4885

“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.