SCHEMBL2748154

SCHEMBL2748154

COc1ccccc1-c1nnc(-c2ccccc2Br)n1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.62
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2748325 0.80 HSD11B1 (0.70) HSD11B1ALDH1A1KDM4EGAAMAPT
SCHEMBL6406974 0.79 KMT2A (0.63) HSD11B1KMT2AALDH1A1MEN1HSD17B10
SCHEMBL2747997 0.77 HSD11B1 (0.58) HSD11B1KMT2AALDH1A1HSD17B10PDE2A
SCHEMBL2747418 0.77 HSD11B1 (0.77) HSD11B1KMT2A
SCHEMBL2746814 0.77 HSD11B1 (1.00) HSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4429261 0.77 CA1 (0.52) KMT2AALDH1A1MEN1HSD17B10KDM4E
SCHEMBL29559535 0.77 CA1 (0.52) KMT2AALDH1A1MEN1HSD17B10KDM4E
SCHEMBL6247799 0.76 KMT2A (1.00) HSD11B1KMT2AALDH1A1MEN1HSD17B10
SCHEMBL6247798 0.75 KMT2A (0.76) HSD11B1KMT2AALDH1A1MEN1HSD17B10
SCHEMBL24820549 0.75 HSD11B1 (0.63) HSD11B1KMT2AALDH1A1KDM4EGAA

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-8178546-B2 Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2012-05-15 US claimed
US-20100256387-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-10-07 US claimed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US claimed
EP-1732904-A4 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-11-14 EP claimed
EP-1732904-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2006-12-20 EP claimed
WO-2005097759-A1 DIARYLTRIAZOLES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2005-10-20 WO claimed
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

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 HSD11B1 1/4885KMT2A 3009/4885ALDH1A1 189/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885KMT2A 3497/4885ALDH1A1 320/4885

“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.