SCHEMBL2652936

SCHEMBL2652936

CCN(CC)C(=O)CN1CCN(c2cccc(Nc3ccc(C(=O)OCCOC)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 2/20 0.46
PTGER4 P35408 1/20 0.46
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MGLL Q99685 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 2/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL2661592 0.94 KMT2A (0.42) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2661830 0.90 MAPT (0.45) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2661798 0.90 MAPT (0.48) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2650643 0.89 MAPT (0.44) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651555 0.89 MAPT (0.45) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651358 0.88 MAPT (0.43) MAPTALDH1A1PTGER4LMNAKMT2A
SCHEMBL2651064 0.87 MAPT (0.43) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2662508 0.87 MAPT (0.46) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651871 0.86 ALDH1A1 (0.48) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL5780151 0.86 MAPT (0.44) MAPTALDH1A1RAB9APTGER4HPGD

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 6 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
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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885ALDH1A1 977/4885RAB9A 3221/4885

“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.