SCHEMBL76640

SCHEMBL76640

O=c1[nH]c(-c2ccccc2)cn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
HTT P42858 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
TNKS O95271 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
SCN2A Q99250 1/20 0.43

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
SCHEMBL4785233 0.84 CA12 (0.69) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL15766297 0.77 DDB1 (0.64) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL15766528 0.77 HTT (0.55) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL15766912 0.77 HTT (0.55) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL14685531 0.77 HTT (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL16455934 0.76 CA12 (0.60) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL16474677 0.75 HTT (0.49) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL16456378 0.74 RAB9A (0.66) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL11251327 0.74 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL14769661 0.71 RAB9A (0.67) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
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
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 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 (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 ALDH1A1 97/4885RAB9A 2139/4885MAPT 3537/4885

“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.