SCHEMBL6497627

SCHEMBL6497627

CC(C)(C)OC(=O)N1CCN(c2cc(N)c(N)cc2Cl)CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.42
NR1H3 Q13133 8/20 0.42
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 2/20 0.38
MCL1 Q07820 1/20 0.38
MAP4K4 O95819 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6496919 0.89 MAPT (0.53) NR1H2NR1H3ALDH1A1MCL1LMNA
SCHEMBL6485470 0.82 ALDH1A1 (0.42) NR1H2NR1H3ALDH1A1MCL1HSD17B10
SCHEMBL6484817 0.80 SMARCA2 (0.52) NR1H2ALDH1A1MAP4K4LMNANPSR1
SCHEMBL23216745 0.75 NR1H2 (0.42) NR1H2NR1H3ALDH1A1MCL1HSD17B10
SCHEMBL29886232 0.75 NR1H2 (0.42) NR1H2NR1H3ALDH1A1MCL1HSD17B10
SCHEMBL29768486 0.75 NR1H2 (0.42) NR1H2NR1H3ALDH1A1MCL1HSD17B10
SCHEMBL25134616 0.75 AGTR2 (0.57) NR1H2NR1H3ALDH1A1LMNA
SCHEMBL20874055 0.74 MAP4K4 (0.51) NR1H2NR1H3ALDH1A1HDAC1MAP4K4
SCHEMBL20884865 0.74 MAP4K4 (0.51) NR1H2NR1H3ALDH1A1HDAC1MAP4K4
SCHEMBL20884630 0.74 MAP4K4 (0.51) NR1H2NR1H3ALDH1A1HDAC1MAP4K4

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-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR NR1H2 674/4885NR1H3 1048/4885ALDH1A1 1851/4885

“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.