SCHEMBL1797347

SCHEMBL1797347

COC(=O)C(C)(C)n1cc([N+](=O)[O-])nc1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SOS1 Q07889 1/20 0.38
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 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
SCHEMBL5667886 0.92 ALDH1A1 (0.40) ALDH1A1PKMKMT2ACYP2C19MITF
SCHEMBL5667988 0.90 ALDH1A1 (0.38) ALDH1A1PKMKMT2ACYP2C19MITF
SCHEMBL1798181 0.75 MAPK1 (0.32)
SCHEMBL1798349 0.72 CYP2C19 (0.44) ALDH1A1PKMCYP2C19MITFPOLB
SCHEMBL27262043 0.69 ALDH1A1 (0.54) ALDH1A1PKMKMT2AMITFPOLB
SCHEMBL28290787 0.69 ALDH1A1 (0.54) ALDH1A1PKMKMT2AMITFPOLB
SCHEMBL28290789 0.69 ALDH1A1 (0.57) ALDH1A1PKMKMT2AMITFPOLB
SCHEMBL20555074 0.68 NPSR1 (0.44) ALDH1A1PKMCYP2C19MITFPOLB
SCHEMBL13113850 0.68 ALDH1A1 (0.60) ALDH1A1PKMKMT2AMITFPOLB
SCHEMBL63286 0.67 ALDH1A1 (0.59) ALDH1A1PKMKMT2AMITFPOLB

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 1331/4885KMT2A 2382/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 ALDH1A1 1117/4885PKM 1331/4885KMT2A 2382/4885

“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.