SCHEMBL4287463

SCHEMBL4287463

CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.68
ALDH1A1 P00352 12/20 0.59
LMNA P02545 6/20 0.59
RECQL P46063 1/20 0.56
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL16569828 0.86 WDR5 (0.56) WDR5ALDH1A1LMNARECQLMAPT
SCHEMBL30957573 0.86 WDR5 (0.56) WDR5ALDH1A1LMNARECQLMAPT
SCHEMBL25044981 0.86 WDR5 (0.56) WDR5ALDH1A1LMNARECQLMAPT
SCHEMBL2423603 0.85 ALDH1A1 (0.58) WDR5ALDH1A1LMNARECQLMAPT
SCHEMBL10036177 0.84 WDR5 (0.54) WDR5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4258525 0.82 RECQL (0.54) WDR5ALDH1A1LMNARECQLMAPT
SCHEMBL4256274 0.81 ALDH1A1 (0.54) WDR5ALDH1A1LMNARECQLMAPT
SCHEMBL29228991 0.80 WDR5 (0.74) WDR5ALDH1A1MAPTGAAMAPK1
SCHEMBL29229226 0.80 WDR5 (0.74) WDR5ALDH1A1MAPTGAAMAPK1
SCHEMBL24900638 0.80 WDR5 (0.74) WDR5ALDH1A1MAPTGAAMAPK1

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 WDR5 2154/4885ALDH1A1 1961/4885LMNA 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.