SCHEMBL6496919

SCHEMBL6496919

CC(C)(C)OC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
ALDH1A1 P00352 8/20 0.53
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.36
FFAR2 O15552 1/20 0.36
RECQL P46063 1/20 0.36
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6497627 0.89 NR1H2 (0.42) ALDH1A1LMNAMEN1KMT2ANR1H2
SCHEMBL459965 0.84 MAPT (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6485470 0.77 ALDH1A1 (0.42) MAPTALDH1A1LMNANR1H2NR1H3
SCHEMBL3110117 0.74 MAPT (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL458336 0.74 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27931604 0.74 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29257897 0.74 ALDH1A1 (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6492430 0.72 MAPT (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1192289 0.71 ALDH1A1 (1.00) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL3927908 0.71 MAPT (0.76) MAPTALDH1A1LMNAMEN1KMT2A

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 MAPT 400/4885ALDH1A1 1851/4885LMNA 1460/4885

“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.