SCHEMBL3571997

SCHEMBL3571997

CC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)cc1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B2 P37059 1/20 0.40
AAK1 Q2M2I8 7/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ATR Q13535 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAP4K4 O95819 1/20 0.37
LCK P06239 1/20 0.36

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
SCHEMBL5562865 0.89 CD44 (0.42) CA12CA1CA2CA9AAK1
SCHEMBL5558047 0.89 CD44 (0.42) CA12CA1CA2CA9AAK1
SCHEMBL4208203 0.89 CA12 (0.40) CA12CA1CA2CA9AAK1
SCHEMBL2353023 0.88 AAK1 (0.40) CA12CA1CA2CA9AAK1
SCHEMBL3568182 0.88 AAK1 (0.40) CA12CA1CA2CA9AAK1
SCHEMBL5563662 0.86 LMNA (0.43) CA12CA1CA2CA9AAK1
SCHEMBL29430822 0.86 LMNA (0.43) CA12CA1CA2CA9AAK1
SCHEMBL5558133 0.86 LMNA (0.43) CA12CA1CA2CA9AAK1
SCHEMBL6166163 0.86 CA12 (0.36) CA12CA1CA2CA9AAK1
SCHEMBL3101753 0.85 CA12 (0.38) CA12CA1CA2CA9AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
EP-1228367-B1 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF ASUBIO PHARMA CO LTD (JP) 2007-09-26 EP disclosed
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. 2006-08-10 US disclosed
US-7067533-B2 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2006-06-27 US disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 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 (3 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-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R CA12 4858/4885CA1 4857/4885CA2 3869/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B CA12 1361/4885CA1 221/4885CA2 53/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 CA12 1623/4885CA1 893/4885CA2 1304/4885

“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.