SCHEMBL1605798

SCHEMBL1605798

Cc1c(-c2cccnc2)n(Cc2ccc(S(C)(=O)=O)c(C#N)c2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.48
CYP11B2 P19099 5/20 0.46
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP7 P55210 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
PTGS2 P35354 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
CYP11B1 P15538 1/20 0.36
MAOA P21397 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL7951157 0.89 CYP11B2 (0.44) TBXAS1CYP11B2FNTAFNTBCASP1
SCHEMBL1604788 0.89 CYP11B2 (0.40) TBXAS1CYP11B2FNTAFNTBCASP1
SCHEMBL7940338 0.83 CYP11B2 (0.49) TBXAS1CYP11B2CASP1HSD17B10CYP11B1
SCHEMBL30385577 0.82 TBXAS1 (0.54) TBXAS1CYP11B2PTGS2HDAC6ESR1
SCHEMBL1605498 0.82 TBXAS1 (0.54) TBXAS1CYP11B2PTGS2HDAC6ESR1
SCHEMBL7945689 0.81 CYP11B2 (0.41) TBXAS1CYP11B2FNTAFNTBKDM4E
SCHEMBL1605385 0.80 CYP11B2 (0.55) TBXAS1CYP11B2HDAC6CYP11B1MAOA
SCHEMBL1605560 0.79 CYP11B2 (0.52) TBXAS1CYP11B2HSD17B10KDM4EALDH1A1
SCHEMBL1606366 0.77 CYP11B2 (0.63) TBXAS1CYP11B2HSD17B10KDM4EALDH1A1
SCHEMBL11015008 0.74 TBXAS1 (0.62) TBXAS1CYP11B2KDM4EHDAC6ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN claimed
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN 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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
CN-102076665-B Organic compounds NOVARTIS AG 2014-09-03 CN 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
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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-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 TBXAS1 1987/4885CYP11B2 13/4885FNTA 1017/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1987/4885CYP11B2 13/4885FNTA 1017/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885CYP11B2 12/4885FNTA 903/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885CYP11B2 12/4885FNTA 903/4885

“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.