SCHEMBL1119422

SCHEMBL1119422

FC(F)(F)Oc1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.50
▸ CYP11B2 P19099 3/20 0.50
▸ NPY5R Q15761 1/20 0.49
▸ KCNH2 Q12809 4/20 0.47
▸ SCN10A Q9Y5Y9 1/20 0.47
▸ DYRK1A Q13627 4/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ KCNA5 P22460 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ DHODH Q02127 1/20 0.40

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
SCHEMBL1230338 0.83 CYP11B1 (0.53) CYP11B1CYP11B2NPY5RKCNH2SCN10A
SCHEMBL1119413 0.80 CYP11B1 (0.53) CYP11B1CYP11B2NPY5RDYRK1ACYP2A6
SCHEMBL13362351 0.80 NPY5R (0.67) CYP11B1CYP11B2NPY5RKCNH2SCN10A
SCHEMBL30562384 0.80 NPY5R (0.67) CYP11B1CYP11B2NPY5RKCNH2SCN10A
SCHEMBL12812872 0.78 ABL1 (0.62) CYP11B1CYP11B2NPY5RDYRK1AABL1
SCHEMBL29597243 0.78 CYP11B1 (0.50) CYP11B1CYP11B2NPY5RKCNH2SCN10A
SCHEMBL29066294 0.78 CYP11B1 (0.50) CYP11B1CYP11B2NPY5RKCNH2SCN10A
SCHEMBL12576029 0.78 CYP2A6 (0.55) CYP11B1CYP11B2CYP2A6
SCHEMBL20546536 0.77 CTSA (0.47) NPY5RKCNH2SCN10ADYRK1AGRM5
SCHEMBL30541350 0.77 CTSA (0.47) NPY5RKCNH2SCN10ADYRK1AGRM5

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-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 — — US disclosed
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 — — EP disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 — — US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 — — US disclosed
EP-2280954-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 Universität des Saarlandes (DE) 2011-02-09 — — EP disclosed
WO-2009135651-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIVERSITÄT SAARLANDES (DE) 2009-11-12 — — 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 (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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CYP11B1 6/4885CYP11B2 4/4885NPY5R 822/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885NPY5R 2032/4885

“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.

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