SCHEMBL1298103

SCHEMBL1298103

O=C(O)c1cccc2[nH]c(C3CNCCN3)nc12

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.80
PARP2 Q9UGN5 3/20 0.52
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
DHODH Q02127 2/20 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
SCHEMBL5621707 0.89 PARP1 (1.00) PARP1PARP2
Hydrochloric Acid SCHEMBL18614370 0.88 PARP1 (0.98) PARP1PARP2
SCHEMBL1298158 0.82 PARP1 (0.80) PARP1PARP2
SCHEMBL6872050 0.79 PARP1 (0.70) PARP1PARP2
SCHEMBL5620711 0.78 PARP1 (0.79) PARP1PARP2
SCHEMBL7444261 0.76 PARP1 (0.57) PARP1PARP2
SCHEMBL630129 0.73 PARP1 (1.00) PARP1PARP2
SCHEMBL2243349 0.73 PARP1 (0.55) PARP1KDM4E
SCHEMBL630259 0.72 PARP1 (1.00) PARP1PARP2
SCHEMBL633643 0.72 PARP1 (1.00) PARP1PARP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871946-B2 Benzimidazole-4-carboxamide derivatives, their preparation methods, pharmaceutical compositions and their uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2014-10-28 US disclosed
EP-2386553-A1 BENZIMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND THEIR USES Shanghai Jiao Tong University (CN) 2011-11-16 EP disclosed
US-20110269766-A1 Benzimidazole-4-Carboxamide Derivatives, Their Preparation Methods, Pharmaceutical Compositions And Their Uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2011-11-03 US disclosed
US-20110253582-A1 MOLDABLE ARTICLES, METHOD OF MAKING SAME AND METHOD OF MOLDING 3M INNOVATIVE PROPERTIES COMPANY 2011-10-20 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-20110269766-A1 Benzimidazole-4-Carboxamide Derivatives, Their Preparation Methods, Pharmaceutical Compositions And Their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS, HDAC6 PARP1 167/4885PARP2 373/4885KDM4E 980/4885

“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.