SCHEMBL768825

SCHEMBL768825

CN1C(=O)Cc2cc(-c3cncc(OCc4ccccc4)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.56
CYP11B2 P19099 9/20 0.56
ACVRL1 P37023 11/20 0.55
ACVR1 Q04771 11/20 0.55
BMPR1A P36894 9/20 0.55
BMPR1B O00238 8/20 0.55
CYP1A2 P05177 1/20 0.55
TGFBR1 P36897 4/20 0.53

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
SCHEMBL746881 0.85 ACVRL1 (0.62) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL768525 0.82 CYP11B1 (0.80) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769234 0.81 ACVRL1 (0.71) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769094 0.77 ACVRL1 (0.66) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL768836 0.77 ACVRL1 (0.67) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL5637774 0.77 HRH3 (0.56) CYP11B1CYP11B2
SCHEMBL15869759 0.76 ACVRL1 (0.63) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL768920 0.76 ACVRL1 (0.63) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL769221 0.75 ACVRL1 (0.73) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A
SCHEMBL744757 0.75 ACVRL1 (0.69) CYP11B1CYP11B2ACVRL1ACVR1BMPR1A

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 8 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-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
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 CYP11B1 2/4885CYP11B2 1/4885ACVRL1 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 CYP11B1 1/4885CYP11B2 3/4885ACVRL1 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.