SCHEMBL1885394

SCHEMBL1885394

O=C1CCc2cc(-c3cncnc3)cc([N+](=O)[O-])c2N1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.74
CYP11B1 P15538 13/20 0.74
CYP19A1 P11511 6/20 0.47
CYP1A2 P05177 3/20 0.46
ERN1 O75460 1/20 0.44
CYP2C9 P11712 2/20 0.38
TBXAS1 P24557 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL1878503 0.85 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9
SCHEMBL1762378 0.85 CYP11B1 (1.00) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9
SCHEMBL1883679 0.85 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP1A2ERN1
SCHEMBL1879510 0.82 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1CYP1A2KIF11
SCHEMBL1883992 0.82 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9
SCHEMBL1882793 0.80 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9
SCHEMBL14796761 0.78 CYP11B1 (0.50) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9
SCHEMBL1876258 0.77 CYP11B1 (0.66) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9
SCHEMBL4596659 0.77 CYP11B1 (0.61) CYP11B2CYP11B1CYP19A1CYP1A2MAPT
SCHEMBL1880118 0.76 CYP11B1 (0.58) CYP11B2CYP11B1CYP19A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
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-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
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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-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 CYP11B2 4/4885CYP11B1 6/4885CYP19A1 52/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885CYP19A1 60/4885

“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.