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Sugi Predict / Compounds / SCHEMBL4635686

SCHEMBL4635686

SCHEMBL4635686

CC(C)Oc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 5/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ STS P08842 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP3 P08254 3/20 0.41

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
SCHEMBL22605844 0.90 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL24689326 0.87 MAPT (0.64) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL22587819 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL606162 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL22587929 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL22716682 0.85 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL28696655 0.85 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL4635973 0.85 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL4647155 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL8246164 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1HTTNPC1

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 ALDH1A1 839/4885MAPT 2221/4885MAPK1 772/4885

“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.