SCHEMBL942887

SCHEMBL942887

OB(O)c1ccnc(CCCN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.40
SMARCA2 P51531 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
SCN1A P35498 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN2A Q99250 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
SCHEMBL29951623 0.83 CXCR4 (0.47) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL940608 0.76 KDM4E (0.45) SIGMAR1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL20682541 0.76 SIGMAR1 (0.59) SIGMAR1POLBKMT2ALMNAMEN1
SCHEMBL19597688 0.75 POLB (0.59) SIGMAR1POLBKMT2ALMNAL3MBTL1
SCHEMBL28524190 0.71 HRH3 (0.43) SIGMAR1POLBKMT2AMEN1MAPK1
SCHEMBL875670 0.70 PIK3CA (0.57) HPGDHTTALDH1A1CYP2C19MAPK13
SCHEMBL29760133 0.70 PIK3CA (0.57) HPGDHTTALDH1A1CYP2C19MAPK13
SCHEMBL2318215 0.70 HRH3 (0.68) SIGMAR1LMNAMAPK1ALDH1A1CYP1A2
SCHEMBL29036801 0.70 HRH3 (0.49) SIGMAR1POLBKMT2ALMNAHTT
SCHEMBL939335 0.69 ENPP2 (0.41) LMNAHTTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268612-B1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2014-08-20 EP 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-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 (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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 SIGMAR1 4238/4885POLB 1865/4885KMT2A 830/4885
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 SIGMAR1 4160/4885POLB 1864/4885KMT2A 844/4885

“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.