SCHEMBL2662508

SCHEMBL2662508

CCN1CCCN(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 5/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 2/20 0.46
PTGER4 P35408 1/20 0.46
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
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 1/20 0.40
LMNA P02545 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
SCHEMBL2661798 0.97 MAPT (0.48) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2661709 0.92 MAPT (0.48) MAPTALDH1A1HPGDKMT2AAKR1C4
SCHEMBL2661830 0.89 MAPT (0.45) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651871 0.88 ALDH1A1 (0.48) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2650643 0.88 MAPT (0.44) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651555 0.88 MAPT (0.45) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2662625 0.87 MAPT (0.44) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2662484 0.87 THRB (0.47) MAPTALDH1A1RAB9APTGER4HPGD
SCHEMBL2651430 0.87 PTGER4 (0.43) MAPTALDH1A1PTGER4MAPK1NPC1
SCHEMBL2650623 0.87 MAPT (0.49) 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 5 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
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.