SCHEMBL7071047

SCHEMBL7071047

CC(C)CNc1cc(NC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAP4K4 O95819 1/20 0.41
CYP17A1 P05093 1/20 0.40
NR1I3 Q14994 1/20 0.40
MAPKAPK2 P49137 3/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4168735 0.85 MEN1 (0.44) AAK1CA12CA1CA9CYP17A1
SCHEMBL8693894 0.84 KCNQ3 (0.46) HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL30896828 0.82 CA12 (0.41) AAK1CA12CA1CA9HDAC3
SCHEMBL7078118 0.81 ALDH1A1 (0.48) SMN1; SMN2
SCHEMBL16486018 0.81 AURKA (0.48) CA12CA1HDAC3HDAC1HDAC2
SCHEMBL16489555 0.80 AAK1 (0.43) AAK1CA12CA1CA9HDAC3
SCHEMBL13624134 0.78 CA12 (0.50) AAK1CA12CA1CA9HDAC3
SCHEMBL16044613 0.77 CA12 (0.47) AAK1CA12CA1CA9HDAC3
SCHEMBL25113661 0.77 CA12 (0.44) AAK1CA12CA1CA9HDAC3
SCHEMBL29079827 0.77 CA12 (0.44) AAK1CA12CA1CA9HDAC3

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-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY NIKOLAIDES NICHOLAS (US) 2003-11-20 US disclosed
EP-1263736-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
WO-2001058878-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 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-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY CBR3, BAK1, CBR1 AAK1 1402/4885CA12 3619/4885CA1 1258/4885

“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.