SCHEMBL1799400

SCHEMBL1799400

COC(=O)CC(C)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
MITF O75030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TNF P01375 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5665758 0.90 ALDH1A1 (0.34) ALDH1A1PKMMITFL3MBTL1TAAR1
SCHEMBL2977912 0.79 ALDH1A1 (0.39) ALDH1A1PKMMITFL3MBTL1TAAR1
SCHEMBL9089928 0.78 MITF (0.35) MITF
SCHEMBL1797358 0.77 MAPT (0.38) ALDH1A1MAPTRAB9ATNFHTT
SCHEMBL28290766 0.77 ALDH1A1 (0.41) ALDH1A1PKML3MBTL1TAAR1MAPT
SCHEMBL1797696 0.74 L3MBTL1 (0.56) ALDH1A1PKMMITFL3MBTL1TAAR1
SCHEMBL28407960 0.74 ALDH1A1 (0.40) ALDH1A1PKML3MBTL1TAAR1MAPT
SCHEMBL574245 0.74 ALDH1A1 (0.40) ALDH1A1PKML3MBTL1TAAR1MAPT
SCHEMBL28016917 0.73 L3MBTL1 (0.36) ALDH1A1PKMMITFL3MBTL1TAAR1
SCHEMBL27299166 0.73 L3MBTL1 (0.38) ALDH1A1PKMMITFL3MBTL1TAAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1934091-B imidazole compounds for the treatment of neurodegenerative disorders PFIZER PRODUCTS INC. (US) 2012-02-08 CN disclosed
US-7951958-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2011-05-31 US disclosed
US-7795447-B2 4-(Acylaminoacetylamino)imidazole derivatives, e.g., methyl 3-(4-{2-[2-(3,5-Difluorophenyl)acetylamino]pentanoylamino}imidazol-1-yl)butyrate; treating neurodegenerative and/or neurological disorders such as Alzheimer's disease and Down's Syndrome PFIZER INC (US) 2010-09-14 US disclosed
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC (US) 2010-07-01 US disclosed
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-09-18 US disclosed
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP disclosed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US disclosed
CN-1934091-A Imidazole compounds for the treatment of neurodegenerative disorders PFIZER (US) 2007-03-21 CN 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 (2 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-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 ALDH1A1 1117/4885PKM 1331/4885MITF 2665/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 ALDH1A1 1117/4885PKM 1331/4885MITF 2665/4885

“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.