SCHEMBL6906414

SCHEMBL6906414

O=S1(=O)NCCc2cccc3c2N1CC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
HTR2C P28335 6/20 0.40
HTR2B P41595 3/20 0.34
NOTUM Q6P988 1/20 0.34
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
CES1 P23141 2/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL6907075 0.80 TSHR (0.32) NPSR1
SCHEMBL4856768 0.67 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL6906518 0.64 CA12 (0.57) CA12CA1CA2CA4CA7
SCHEMBL17195399 0.63 PTPN1 (0.50) CYP2D6ALOX12
SCHEMBL10153320 0.61 HTR2C (0.67) CA12CA1CA2CA4CA7
SCHEMBL15420000 0.61 PTPN1 (0.47) CYP2D6ALOX12
SCHEMBL21076485 0.61 HTR2C (0.48) HTR2CMAOAMAOBDRD2DRD1
SCHEMBL710185 0.61 KEAP1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL17545358 0.60 CA12 (1.00) CA12CA1CA2CA4CA7
SCHEMBL10192172 0.60 ADRB1 (0.50) NOTUMMAPT

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 3 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-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

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 CA12 3650/4885CA1 4069/4885CA2 1570/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CA12 1244/4885CA1 1525/4885CA2 322/4885

“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.