SCHEMBL1875733

SCHEMBL1875733

O=C1Cc2cc(-c3cccnc3)cc(Cl)c2N1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.79
CYP11B1 P15538 15/20 0.79
CYP1A2 P05177 5/20 0.79
TDP2 O95551 2/20 0.59
CYP19A1 P11511 4/20 0.57
PDE3A Q14432 2/20 0.53
PDE5A O76074 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE7A Q13946 1/20 0.53
PDE1C Q14123 1/20 0.53
CYP2C9 P11712 2/20 0.50
TBXAS1 P24557 1/20 0.50
PDE3B Q13370 1/20 0.50
AHR P35869 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1119357 0.88 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2TDP2CYP19A1
SCHEMBL1876892 0.84 CYP11B2 (0.61) CYP11B2CYP11B1CYP1A2TDP2CYP19A1
SCHEMBL1879573 0.78 CYP11B2 (0.50) CYP11B2CYP11B1CYP1A2TDP2AHR
SCHEMBL1119356 0.77 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2TDP2CYP19A1
SCHEMBL18189600 0.77 GRIA1 (0.57) CYP11B2CYP11B1CYP1A2TDP2PDE3A
SCHEMBL29849907 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP1A2TDP2PDE3A
SCHEMBL29899595 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP1A2TDP2PDE3A
SCHEMBL748904 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP1A2TDP2PDE3A
SCHEMBL29849827 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP1A2TDP2PDE3A
SCHEMBL18189444 0.75 GRIA1 (0.58) CYP11B2CYP11B1CYP1A2TDP2PDE3A

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 6/4885CYP1A2 23/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885CYP1A2 101/4885

“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.