SCHEMBL1605033

SCHEMBL1605033

Cn1c(-c2cncc(OS(=O)(=O)N3CCOCC3)c2)c(C#N)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.68
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP11B1 P15538 2/20 0.40
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL1606325 0.91 CYP11B2 (0.70) CYP11B2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL19417463 0.84 CYP11B2 (0.60) CYP11B2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL1606259 0.83 CYP11B2 (0.79) CYP11B2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL1605269 0.81 CYP11B2 (1.00) CYP11B2MEN1KMT2AALDH1A1KDM4E
SCHEMBL30386029 0.80 CYP11B2 (0.58) CYP11B2ALDH1A1HPGDKDM4ECYP11B1
SCHEMBL1605424 0.80 CYP11B2 (0.58) CYP11B2ALDH1A1HPGDKDM4ECYP11B1
SCHEMBL1605856 0.78 CYP11B2 (0.70) CYP11B2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL1606221 0.77 CHRNB1 (0.51) CYP11B2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL1608582 0.72 CYP11B2 (0.66) CYP11B2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL1605235 0.71 CYP11B2 (0.68) CYP11B2MEN1KMT2AALDH1A1HSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
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-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-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-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP 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-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
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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
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 13/4885MEN1 1570/4885KMT2A 4447/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885MEN1 1570/4885KMT2A 4447/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885MEN1 1326/4885KMT2A 4274/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885MEN1 1326/4885KMT2A 4274/4885

“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.