SCHEMBL4635779

SCHEMBL4635779

Nc1ccc(Br)cc1NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.46
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
EHMT2 Q96KQ7 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
EHMT1 Q9H9B1 1/20 0.35

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
SCHEMBL1519326 0.86 KDM1A (0.41) IRAK4AAK1
SCHEMBL4938339 0.84 IRAK4 (0.46) IRAK4NOS3NOS1NOS2
SCHEMBL4636443 0.81 IRAK4 (0.47) IRAK4
SCHEMBL13374903 0.81 IRAK4 (0.35) IRAK4NOS3NOS1NOS2EHMT2
SCHEMBL4635617 0.81 IRAK4 (0.47) IRAK4NOS3NOS1NOS2EHMT2
SCHEMBL4935780 0.81 MAPT (0.49) IRAK4
SCHEMBL3578860 0.80 IRAK4 (0.35) IRAK4EHMT2EHMT1
SCHEMBL4648772 0.79 HTR4 (0.39) IRAK4NOS3NOS1NOS2EHMT2
SCHEMBL17378320 0.79 MAPT (0.46) IRAK4NOS3NOS1NOS2AAK1
SCHEMBL1519578 0.78 POLB (0.43) NOS3NOS1NOS2EHMT2

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 9 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
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 IRAK4 2981/4885NOS3 1684/4885NOS1 1083/4885

“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.