SCHEMBL2747997

SCHEMBL2747997

COc1ccccc1-c1nnc(-c2cccc(Cl)c2Cl)n1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.58
KMT2A Q03164 2/20 0.57
P2RX7 Q99572 2/20 0.55
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KCNN4 O15554 1/20 0.47
PDE2A O00408 2/20 0.46
PDE10A Q9Y233 2/20 0.46

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
SCHEMBL2748126 0.86 HSD11B1 (0.71) HSD11B1P2RX7PDE2APDE10A
SCHEMBL2748146 0.84 HSD11B1 (0.82) HSD11B1P2RX7ALDH1A1PDE2APDE10A
SCHEMBL2747981 0.81 HSD11B1 (0.66) HSD11B1P2RX7PDE2APDE10A
SCHEMBL4965869 0.79 P2RX7 (0.49) P2RX7TSHRHSD17B10ALDH1A1KCNN4
SCHEMBL2748154 0.77 HSD11B1 (0.62) HSD11B1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL6406974 0.75 KMT2A (0.63) HSD11B1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL2747473 0.75 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL2747418 0.73 HSD11B1 (0.77) HSD11B1KMT2A
SCHEMBL2747469 0.73 HSD11B1 (0.69) HSD11B1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL6247799 0.73 KMT2A (1.00) HSD11B1KMT2ATSHRHSD17B10ALDH1A1

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 3009/4885P2RX7 4271/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885KMT2A 3497/4885P2RX7 4347/4885

“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.