SCHEMBL2746683

SCHEMBL2746683

[2H]c1cccc(NN)c1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
POLB P06746 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL358811 0.83 POLB (0.95) ALDH1A1TDP1POLBL3MBTL1GRIN2D
SCHEMBL29573158 0.83 POLB (0.95) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Hydrochloric Acid SCHEMBL31013084 0.81 POLB (1.00) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Bromide SCHEMBL20984100 0.81 POLB (0.91) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Hydrochloric Acid SCHEMBL1408149 0.81 POLB (1.00) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Methyl Alcohol SCHEMBL28589868 0.78 ALDH1A1 (0.84) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Phosphoric Acid SCHEMBL20984218 0.73 POLB (0.75) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Sulfuric Acid SCHEMBL20984884 0.73 POLB (0.75) ALDH1A1TDP1POLBL3MBTL1GRIN2D
Oxalic Acid SCHEMBL20984131 0.73 POLB (0.75) ALDH1A1TDP1POLBL3MBTL1SMN1; SMN2
Nitric Acid SCHEMBL20984720 0.71 POLB (0.70) ALDH1A1TDP1POLBL3MBTL1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732904-B1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US disclosed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
EP-1732904-A4 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-11-14 EP disclosed
EP-1732904-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2006-12-20 EP disclosed
WO-2005097759-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2005-10-20 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 (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-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 189/4885TDP1 678/4885POLB 2617/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 ALDH1A1 320/4885TDP1 702/4885POLB 2743/4885

“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.