SCHEMBL1884142

SCHEMBL1884142

O=c1[nH]c2cc(O)c(-c3cccnc3)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
CYP19A1 P11511 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
GPR35 Q9HC97 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMO O15229 1/20 0.42
BTK Q06187 1/20 0.42
CHEK1 O14757 1/20 0.42
WEE1 P30291 1/20 0.42
ERN1 O75460 1/20 0.41
OGT O15294 1/20 0.41
CYP2A6 P11509 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL1878615 0.86 KMO (0.55) PDE3BPDE3ACYP19A1CYP11B2MAOA
SCHEMBL6910023 0.86 TDO2 (0.50) PDE3BPDE3ACYP19A1CYP11B2MAOA
SCHEMBL1879752 0.82 IMPDH2 (0.53) PDE3BPDE3ACYP19A1CYP11B1CYP11B2
SCHEMBL1874732 0.82 NOS3 (0.46) PDE3BPDE3ACYP19A1MAOAMAOB
SCHEMBL11251932 0.82 PDE3B (0.68) PDE3BPDE3ACYP19A1CYP11B1CYP11B2
SCHEMBL1762375 0.81 PDE3B (0.70) PDE3BPDE3ACYP19A1CYP11B1CYP11B2
SCHEMBL30494348 0.81 PDE3B (0.70) PDE3BPDE3ACYP19A1CYP11B1CYP11B2
SCHEMBL1875427 0.80 KDM4E (0.43) PDE3BPDE3ACYP19A1CYP11B1CYP11B2
SCHEMBL1881931 0.77 KDM4E (0.53) CYP19A1CYP11B1CYP11B2KDM4EHPGD
SCHEMBL1491549 0.75 CYP2A6 (0.64) CYP19A1CYP11B1CYP11B2KDM4EHPGD

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 PDE3B 239/4885PDE3A 355/4885CYP19A1 52/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PDE3B 335/4885PDE3A 424/4885CYP19A1 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.