SCHEMBL777743

SCHEMBL777743

CCS(=O)(=O)N(C)Cc1cncc(-c2ccc3c(c2Cl)CC(=O)N3C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.46
CYP11B1 P15538 11/20 0.36
ACVRL1 P37023 6/20 0.35
ACVR1 Q04771 6/20 0.35
BMPR1B O00238 5/20 0.35
BMPR1A P36894 5/20 0.35
TGFBR1 P36897 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSPO P30536 1/20 0.33
CYP19A1 P11511 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
SCHEMBL769027 0.85 CYP11B2 (0.41) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL769604 0.81 CYP11B1 (0.40) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL777266 0.80 ACVRL1 (0.56) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL15869740 0.80 CYP11B1 (0.39) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL768785 0.79 PIK3C3 (0.37) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL15869738 0.78 CYP11B2 (0.42) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL769387 0.78 LMNA (0.41) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL768345 0.78 MEN1 (0.40) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL15869737 0.77 CYP11B1 (0.38) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B
SCHEMBL769240 0.77 CYP11B1 (0.41) CYP11B2CYP11B1ACVRL1ACVR1BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US 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 (2 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 CYP11B2 1/4885CYP11B1 2/4885ACVRL1 3179/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885CYP11B1 1/4885ACVRL1 950/4885

“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.