SCHEMBL2745894

SCHEMBL2745894

CCSc1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)n1C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.66
NR1I2 O75469 1/20 0.59
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2746974 0.86 HSD11B1 (0.69) HSD11B1NR1I2NPC1ALDH1A1HPGD
SCHEMBL17111049 0.84 HSD11B1 (0.58) HSD11B1NR1I2NPC1ALDH1A1HPGD
SCHEMBL2747350 0.83 HSD11B1 (0.83) HSD11B1
SCHEMBL2747248 0.80 HSD11B1 (0.78) HSD11B1
SCHEMBL2747037 0.76 HSD11B1 (0.70) HSD11B1NR1I2
SCHEMBL2748143 0.75 HSD11B1 (1.00) HSD11B1
SCHEMBL2746796 0.74 HSD11B1 (0.66) HSD11B1
SCHEMBL14006043 0.74 HSD11B1 (0.83) HSD11B1ALDH1A1HPGD
SCHEMBL17111060 0.73 HSD11B1 (0.61) HSD11B1NR1I2NPC1ALDH1A1HPGD
SCHEMBL2747775 0.72 HSD11B1 (0.64) HSD11B1

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 12 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
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 HSD11B1 1/4885NR1I2 70/4885NPC1 680/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885NR1I2 95/4885NPC1 898/4885

“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.