SCHEMBL4636034

SCHEMBL4636034

N#Cc1ccc([N+](=O)[O-])c(NC2CCN(C3CCOCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IRAK4 Q9NWZ3 9/20 0.45
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAP3K12 Q12852 1/20 0.38
VCAM1 P19320 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
SCHEMBL605105 0.84 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL605106 0.84 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL29526088 0.83 MEN1 (0.58) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL428406 0.83 MEN1 (0.58) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL4935780 0.83 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL4670065 0.82 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL13375796 0.82 IRAK4 (0.46) IRAK4MAP3K12
SCHEMBL4636443 0.82 IRAK4 (0.47) IRAK4MAP3K12
SCHEMBL20571777 0.82 MEN1 (0.48) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL30734277 0.81 MEN1 (0.63) MAPTCYP1A2CYP2C9CYP2C19HTT

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
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
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 WO 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 2221/4885CYP1A2 457/4885CYP2C9 957/4885

“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.