SCHEMBL2202154

SCHEMBL2202154

OC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SIRT2 Q8IXJ6 13/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL845130 0.91 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2KDM4ESIRT2
SCHEMBL5688715 0.90 SIRT2 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL2787652 0.87 CYP19A1 (0.36) CYP11B1CYP11B2
SCHEMBL2787655 0.87 CYP19A1 (0.36) CYP11B1CYP11B2
SCHEMBL21636129 0.84 SIRT2 (0.35) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7668744 0.84 SIRT2 (0.37) CYP11B1CYP11B2SIRT2LMNA
SCHEMBL7666687 0.84 GRM5 (0.34) ENPP2SIRT2ALDH1A1SMN1; SMN2LMNA
SCHEMBL1039275 0.83 CYP11B1 (0.41) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL17651947 0.81 SIRT2 (0.36) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7816830 0.81 SIRT2 (0.35) CYP11B1CYP11B2ENPP2SIRT2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
EP-2079706-B1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS GRINDEKS JSC (LV) 2011-07-20 EP disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
US-6143766-A ENZYME INHIBITORS WITH IMIDAZOLE GROUPS WARNER-LAMBERT COMPANY (US) 2000-11-07 US disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 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-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1011/4885CYP11B2 775/4885ENPP2 930/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CYP11B1 2166/4885CYP11B2 2116/4885ENPP2 507/4885

“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.