SCHEMBL7947331

SCHEMBL7947331

CN(C)S(=O)(=O)Oc1cncc(-c2cc3ccc(Cl)cc3n2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.48
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
MAT2A P31153 1/20 0.34
AOC3 Q16853 1/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
ALPL P05186 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1606150 0.89 CYP11B2 (0.41) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605950 0.85 CYP11B2 (0.59) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606322 0.82 CHRNB1 (0.42) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605581 0.82 CYP11B2 (0.39) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7948459 0.81 TTK (0.42) CYP11B2
SCHEMBL27810035 0.81 CYP11B2 (0.40) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606902 0.78 CHRNB1 (0.47) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7951313 0.76 CYP11B2 (0.77) CYP11B2MAT2AMEN1NPC1ALDH1A1
SCHEMBL1606105 0.75 CYP11B2 (0.47) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606182 0.75 AOC3 (0.41) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CHRNB1 3239/4885CHRNB2 3915/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CHRNB1 3239/4885CHRNB2 3915/4885

“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.