SCHEMBL1298745

SCHEMBL1298745

O=C(O)c1cccc2[nH]c(-c3cccnn3)nc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.59
PARP1 P09874 2/20 0.58
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL9725333 0.82 DHODH (0.77) DHODHPARP1KDM4EHPGD
SCHEMBL7473559 0.82 DHODH (0.64) DHODHPARP1KDM4EHPGD
SCHEMBL1298102 0.77 DHODH (0.65) DHODHPARP1KDM4EHPGD
SCHEMBL1298432 0.77 DHODH (0.94) DHODHPARP1
SCHEMBL1298375 0.76 DHODH (0.58) DHODHPARP1
SCHEMBL7474958 0.76 PKN1 (0.77) DHODHPARP1
SCHEMBL7561483 0.76 PKN1 (0.79) DHODHPARP1
SCHEMBL1298039 0.75 DHODH (0.61) DHODHPARP1KDM4EHPGD
SCHEMBL1889016 0.75 DHODH (0.59) DHODHPARP1
SCHEMBL505661 0.74 DHODH (1.00) DHODHPARP1

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 DHODH 3078/4885PARP1 167/4885KDM4E 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.