SCHEMBL4256281

SCHEMBL4256281

CC(C)(C)OC(=O)NCC1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
SUV39H2 Q9H5I1 3/20 0.51
DRD2 P14416 2/20 0.50
MAPT P10636 5/20 0.48
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.45
WDR5 P61964 1/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 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
SCHEMBL4256277 1.00 ALDH1A1 (0.53) ALDH1A1SUV39H2DRD2MAPTLMNA
SCHEMBL29106557 0.95 ALDH1A1 (0.55) ALDH1A1SUV39H2DRD2MAPTLMNA
SCHEMBL4294931 0.90 ALDH1A1 (0.51) ALDH1A1SUV39H2DRD2MAPTLMNA
SCHEMBL4294932 0.90 ALDH1A1 (0.51) ALDH1A1SUV39H2DRD2MAPTLMNA
SCHEMBL4762127 0.88 ALDH1A1 (0.49) ALDH1A1SUV39H2DRD2MAPTLMNA
SCHEMBL13419653 0.84 ALDH1A1 (0.48) ALDH1A1DRD2MAPTLMNASMN1; SMN2
SCHEMBL13419563 0.84 ALDH1A1 (0.49) ALDH1A1DRD2MAPTLMNASMN1; SMN2
SCHEMBL13419583 0.82 ALDH1A1 (0.58) ALDH1A1SUV39H2DRD2MAPTLMNA
SCHEMBL14207420 0.81 CKS1B (0.49) ALDH1A1DRD2MAPTLMNAHPGD
SCHEMBL5652480 0.81 MAPT (0.58) ALDH1A1DRD2MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
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
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, 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 (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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885SUV39H2 1294/4885DRD2 1022/4885
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT ALDH1A1 1981/4885SUV39H2 2750/4885DRD2 2102/4885

“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.