SCHEMBL4296358

SCHEMBL4296358

CC(C)(C)OC(=O)N(NC1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
WDR5 P61964 1/20 0.42
SLC6A9 P48067 2/20 0.40
SLC6A5 Q9Y345 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTR1A P08908 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4294928 0.85 ALDH1A1 (0.50) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL4762124 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL4287745 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL5232224 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL4287750 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL13419656 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL7852751 0.80 ALDH1A1 (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL7852754 0.80 ALDH1A1 (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL30915181 0.79 DRD2 (0.54) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL13419542 0.79 DRD2 (0.54) ALDH1A1MAPTLMNATHRBKMT2A

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-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885MAPT 4710/4885LMNA 2658/4885

“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.