SCHEMBL1878737

SCHEMBL1878737

COc1c(-c2cccnc2)ccc2c1CCC(=S)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.53
CYP11B2 P19099 14/20 0.53
CYP1A2 P05177 2/20 0.53
CYP19A1 P11511 4/20 0.44
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
CYP17A1 P05093 4/20 0.40
CHEK1 O14757 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGDS O60760 1/20 0.36
CYP2C9 P11712 1/20 0.36
TBXAS1 P24557 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1877106 0.85 CYP11B1 (0.61) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1877037 0.85 CYP11B1 (0.55) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1874448 0.85 CYP11B1 (0.55) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1883995 0.82 CYP11B1 (0.55) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1875845 0.80 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL7980154 0.79 CYP11B1 (0.52) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1881630 0.76 CYP11B2 (0.75) CYP11B1CYP11B2CYP1A2CYP19A1CYP17A1
SCHEMBL1880237 0.74 CYP11B1 (0.65) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1876447 0.71 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP19A1PARP10
SCHEMBL1872970 0.71 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2CYP19A1PARP10

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 9 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
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 CYP11B1 6/4885CYP11B2 4/4885CYP1A2 23/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP1A2 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.