SCHEMBL75934

SCHEMBL75934

CC(N)(C#N)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 2/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
PKM P14618 1/20 0.37
PGR P06401 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
PNMT P11086 2/20 0.35
RAPGEF3 O95398 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
CCR6 P51684 1/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL27916038 0.98 KIF11 (0.39) KIF11ALDH1A1CYP19A1SCN5ASCN9A
Methylene Chloride SCHEMBL27916056 0.95 KIF11 (0.41) KIF11ALDH1A1CYP19A1SCN5ASCN9A
SCHEMBL603775 0.82 JAK2 (0.40) KIF11ALDH1A1CYP19A1SCN5ASCN9A
SCHEMBL7223800 0.82 KIF11 (0.41) KIF11ALDH1A1CYP19A1SCN5ASCN9A
SCHEMBL1859294 0.79 KIF11 (0.44) KIF11ALDH1A1CYP19A1SCN5ASCN9A
Hydrochloric Acid SCHEMBL16321424 0.78 KIF11 (0.43) KIF11ALDH1A1CYP19A1SCN5ASCN9A
SCHEMBL27897735 0.78 MEN1 (0.46) KIF11CYP19A1KMT2ATSHR
SCHEMBL2683357 0.77 KCNN4 (0.46) ALDH1A1KMT2A
SCHEMBL1918811 0.77 KCNN4 (0.46) ALDH1A1KMT2A
SCHEMBL28945248 0.77 KCNN4 (0.46) KIF11CYP19A1ADORA2AADORA2BADORA1

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
CN-103030574-B Cyano acidamide compound, and synthetic method and application of compound CHINA AGRICULTURAL UNIVERSITY (CN) 2014-10-01 CN disclosed
CN-103030574-A Cyano acidamide compound, and synthetic method and application of compound UNIV CHINA AGRICULTURAL 2013-04-10 CN disclosed
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 CN disclosed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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 (1 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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 KIF11 1715/4885ALDH1A1 97/4885CYP19A1 19/4885

“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.