SCHEMBL939713

SCHEMBL939713

CN(C)CCOc1cc(Br)ccn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
MAPT P10636 1/20 0.40
ATR Q13535 1/20 0.39
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL940535 0.81 HTR7 (0.46) HTR7CHRNB2CHRNA4MAPTATR
SCHEMBL11578483 0.81 CHRNB2 (0.51) HTR7KDM4EALDH1A1LMNACHRNB2
SCHEMBL12625 0.81 HTR7 (0.46) HTR7KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL15901270 0.80 HPGD (0.41) KDM4EALDH1A1LMNAMAPT
SCHEMBL25975338 0.79 HTR7 (0.45) HTR7CHRNB2CHRNA4MAPTATR
SCHEMBL31082525 0.79 ACACB (0.39) KDM4EALDH1A1
SCHEMBL15716995 0.79 ACACB (0.39) KDM4EALDH1A1
SCHEMBL2757142 0.79 PDGFRB (0.42) ALDH1A1LMNAMAPT
SCHEMBL15829859 0.78 NOS3 (0.44) HTR7KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL1051073 0.77 DYRK1A (0.37) KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-8975439-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2015-03-10 US disclosed
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2015-02-12 US disclosed
EP-2268612-B1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2014-08-20 EP disclosed
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8362063-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2012-10-11 US disclosed
US-8222424-B2 Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 EP disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 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 (4 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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 HTR7 860/4885KDM4E 1013/4885ALDH1A1 715/4885
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors MMP11, MMP10, MMP9 HTR7 860/4885KDM4E 1013/4885ALDH1A1 715/4885
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 HTR7 838/4885KDM4E 943/4885ALDH1A1 816/4885
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 HTR7 838/4885KDM4E 943/4885ALDH1A1 816/4885

“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.