SCHEMBL6139770

SCHEMBL6139770

O=C1NCCn2c(N3CCN(c4ccncc4)CC3)nc3cccc1c32

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.59
PARP2 Q9UGN5 1/20 0.46

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
SCHEMBL6139121 0.92 PARP1 (0.63) PARP1
SCHEMBL6630043 0.83 PARP1 (0.38) PARP1
Hydrochloric Acid SCHEMBL6503053 0.82 PARP1 (0.38) PARP1
SCHEMBL6203679 0.78 PARP1 (0.83) PARP1PARP2
SCHEMBL6139331 0.78 PARP1 (0.55) PARP1
Hydrochloric Acid SCHEMBL6139500 0.76 PARP1 (0.55) PARP1
SCHEMBL6199272 0.76 PARP1 (0.80) PARP1PARP2
SCHEMBL12750658 0.76 PARP1 (0.65) PARP1
SCHEMBL15515260 0.75 PARP1 (0.67) PARP1
SCHEMBL6139585 0.75 PARP1 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979683-B2 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-12-27 US disclosed
EP-1339719-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2004-02-12 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-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CBR1, NR3C1 PARP1 1683/4885PARP2 1886/4885

“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.