SCHEMBL1606540

SCHEMBL1606540

CCS(=O)(=O)NCc1cncc(-c2c(C)c3ccccc3n2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 1.00
CYP11B1 P15538 2/20 0.60
CYP19A1 P11511 1/20 0.60
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ACLY P53396 1/20 0.37
TBXAS1 P24557 3/20 0.36
TOP2A P11388 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1606349 0.88 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1ALDH1A1MEN1
SCHEMBL7946991 0.82 CYP11B2 (0.77) CYP11B2CYP11B1CYP19A1ALDH1A1MEN1
SCHEMBL1606971 0.80 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1ALDH1A1TBXAS1
SCHEMBL19417373 0.80 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1ALDH1A1TBXAS1
SCHEMBL1606394 0.78 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1ALDH1A1
SCHEMBL1605531 0.78 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1ALDH1A1MEN1
SCHEMBL1606104 0.76 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1ALDH1A1
SCHEMBL1606130 0.75 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ALDH1A1MEN1
SCHEMBL1605763 0.75 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1ALDH1A1
SCHEMBL30385209 0.75 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102076665-B Organic compounds NOVARTIS AG 2014-09-03 CN claimed
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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885

“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.