SCHEMBL4935780

SCHEMBL4935780

O=[N+]([O-])c1ccc(Br)cc1NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MAPK1 P28482 6/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.43
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DCTPP1 Q9H773 1/20 0.39
WNK1 Q9H4A3 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 3/20 0.38
BCL6 P41182 1/20 0.38
BCOR Q6W2J9 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13967315 0.88 MAPT (0.51) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4670065 0.85 MAPT (0.48) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4939713 0.83 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL13374902 0.83 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4636034 0.83 MAPT (0.47) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL604706 0.83 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL604705 0.83 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL431958 0.82 MAPT (0.59) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4907442 0.82 IRAK4 (0.44) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1519355 0.82 MAPT (0.54) MAPTMAPK1CYP1A2CYP2C9CYP2C19

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
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 MAPT 2221/4885MAPK1 772/4885CYP1A2 457/4885

“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.