SCHEMBL3751707

SCHEMBL3751707

CCCOC(=O)NCc1cncc(-c2[nH]c3cc(Cl)ccc3c2C#N)c1.Cn1c(-c2cncc(CN)c2)c(C#N)c2ccc(Cl)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.56
CYP11B1 P15538 2/20 0.56
CYP19A1 P11511 1/20 0.56
MAOA P21397 1/20 0.43
PRMT5 O14744 3/20 0.32
WDR77 Q9BQA1 3/20 0.32
IMPDH2 P12268 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL12190208 0.90 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1MAOAPRMT5
SCHEMBL1606855 0.88 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1MDM2
SCHEMBL7946996 0.85 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1MAOAPRMT5
SCHEMBL7950532 0.84 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1MAOAPRMT5
SCHEMBL7947364 0.80 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1MAOAPRMT5
SCHEMBL1606702 0.79 CYP11B2 (0.71) CYP11B2CYP11B1CYP19A1MAOARXFP1
SCHEMBL1606215 0.79 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1MAOAPRMT5
SCHEMBL12190210 0.78 CYP11B2 (0.66) CYP11B2CYP11B1CYP19A1MAOAPRMT5
SCHEMBL1606108 0.77 CYP11B2 (0.71) CYP11B2CYP11B1CYP19A1MAOARXFP1
SCHEMBL1605404 0.74 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 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-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
US-20140288126-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.