SCHEMBL2652323

SCHEMBL2652323

CCOC(=O)CN1CCN(Cc2cccc(Nc3ccc(C(=O)OCCOC)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 2/20 0.49
PTGER4 P35408 1/20 0.49
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2650959 0.91 MAPT (0.50) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL5784157 0.87 PRMT1 (0.48) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2652325 0.85 MAPT (0.44) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2651555 0.84 MAPT (0.45) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2662484 0.83 THRB (0.47) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2651792 0.83 MAPT (0.43) MAPTALDH1A1RAB9APTGER4KMT2A
SCHEMBL2661830 0.83 MAPT (0.45) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2662423 0.83 LMNA (0.48) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2651064 0.82 MAPT (0.43) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL2650240 0.82 MAPT (0.44) MAPTALDH1A1RAB9APTGER4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885ALDH1A1 977/4885RAB9A 3221/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885ALDH1A1 1345/4885RAB9A 3451/4885

“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.