SCHEMBL6911245

SCHEMBL6911245

O=S1(=O)COc2cc(-c3cncc4ccccc34)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.64
CYP11B2 P19099 15/20 0.64
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2B6 P20813 2/20 0.51
CYP2C19 P33261 2/20 0.51
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PRKCZ Q05513 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CREBBP Q92793 1/20 0.42
ERN1 O75460 1/20 0.41
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL12593408 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL1120115 0.78 CYP11B1 (1.00) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL6910670 0.78 CYP11B1 (0.64) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL1885133 0.76 CYP11B1 (0.79) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL4987817 0.74 MEN1 (0.36) CYP11B1CYP11B2CYP1A2
SCHEMBL6911864 0.73 CYP11B2 (0.40) CYP11B1CYP11B2PRMT5WDR77WNT1
SCHEMBL6911860 0.73 CYP11B1 (0.63) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL1762345 0.71 CYP11B1 (1.00) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL1879327 0.69 CYP11B1 (0.79) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL1883128 0.68 CYP11B1 (0.80) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6

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 CYP11B1 6/4885CYP11B2 4/4885CYP2D6 60/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP2D6 450/4885

“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.