SCHEMBL12892170

SCHEMBL12892170

O=c1c(Cc2ccc(-c3nnn[nH]3)cc2)coc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.58
▸ CYP11B2 P19099 5/20 0.58
▸ CYP17A1 P05093 2/20 0.58
▸ CYP19A1 P11511 2/20 0.58
▸ MAOB P27338 6/20 0.55
▸ HDAC1 Q13547 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ IL4I1 Q96RQ9 1/20 0.38
▸ HTR1A P08908 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
SCHEMBL2398512 0.77 CYP11B1 (0.77) CYP11B1CYP11B2CYP17A1CYP19A1MAOB
SCHEMBL12892177 0.76 ACP1 (0.53) CYP11B1CYP11B2CYP19A1CA12CA1
SCHEMBL11548259 0.76 NISCH (0.50) CYP11B1CYP11B2CYP17A1CYP19A1MAOB
SCHEMBL20378369 0.73 MAOB (0.76) CYP11B1CYP11B2CYP17A1CYP19A1MAOB
SCHEMBL6955273 0.72 CALM1 (0.43) CA12CA1CA2CA9
SCHEMBL24046932 0.71 MEN1 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL10453899 0.70 CASP3 (0.51) CYP11B1CYP11B2CYP19A1ALDH1A1MAOA
SCHEMBL10453856 0.70 HCRTR1 (0.51) CYP11B1CYP11B2CYP19A1ALDH1A1MAOA
SCHEMBL28367484 0.68 MAOB (0.74) CYP11B1CYP11B2CYP17A1CYP19A1MAOB
SCHEMBL1083558 0.68 MAOB (0.69) CYP11B1CYP11B2CYP17A1CYP19A1MAOB

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-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 — — US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 — — US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 — — US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 — — EP disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 — — US disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 — — EP 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 CYP11B1 4730/4885CYP11B2 4786/4885CYP17A1 4763/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB CYP11B1 2235/4885CYP11B2 3246/4885CYP17A1 2256/4885

“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.

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