SCHEMBL6912261

SCHEMBL6912261

CN1Cc2cc(-c3cncc4ccccc34)cc3c2N(CC3)S1(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.57
CYP11B1 P15538 14/20 0.57
CREBBP Q92793 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PRKCZ Q05513 1/20 0.37

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
SCHEMBL6912153 0.80 CYP11B2 (0.58) CYP11B2CYP11B1CREBBPCYP2D6CYP2C9
SCHEMBL1880810 0.77 CYP11B2 (0.71) CYP11B2CYP11B1CREBBPCYP2D6CYP2C9
SCHEMBL6912159 0.77 CYP11B2 (0.53) CYP11B2CYP11B1CYP2C9CYP2C19CYP1A2
SCHEMBL1881610 0.74 CYP11B2 (0.71) CYP11B2CYP11B1CREBBPCYP2D6CYP2C9
SCHEMBL1762295 0.73 CYP11B2 (1.00) CYP11B2CYP11B1CYP2D6CYP2C9CYP2B6
SCHEMBL1876857 0.70 CYP11B2 (0.73) CYP11B2CYP11B1CYP2D6CYP2C9CYP2B6
SCHEMBL16989897 0.70 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL23187982 0.70 CYP11B2 (0.69) CYP11B2CYP11B1CREBBPCYP2D6CYP2C9
SCHEMBL1888487 0.70 CYP11B2 (0.76) CYP11B2CYP11B1CREBBPCYP2D6CYP2C9
SCHEMBL6912586 0.69 CYP11B2 (0.55) CYP11B2CYP11B1CYP1A2

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
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 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-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

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 6/4885CREBBP 3926/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B2 4/4885CYP11B1 3/4885CREBBP 3894/4885

“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.