SCHEMBL2997693

SCHEMBL2997693

CC(=O)Oc1ccc(-c2nnc(C(C)(C)Nc3ccccc3)n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 4/20 0.43
ELANE P08246 1/20 0.39
RECQL P46063 1/20 0.39
DGAT1 O75907 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
SRC P12931 2/20 0.37
EGFR P00533 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2984482 0.86 KMT2A (0.43) MAPTLMNARECQLDGAT1TP53
SCHEMBL2982974 0.83 SMN1; SMN2 (0.50) MAPTALDH1A1LMNADGAT1TP53
SCHEMBL2987136 0.82 MEN1 (0.46) MAPTALDH1A1LMNATP53KMT2A
SCHEMBL2981625 0.81 HSD11B1 (0.40) MAPTDGAT1TP53ATM
SCHEMBL2991428 0.71 HSD11B1 (0.39) GAAMAPTALDH1A1TP53KMT2A
SCHEMBL2990968 0.69 HSD11B1 (0.58) ALDH1A1LMNA
SCHEMBL2987116 0.67 HSD11B1 (0.44)
SCHEMBL29399270 0.66 HSD17B10 (0.71) GAAMAPTALDH1A1HSP90AA1LMNA
SCHEMBL1713590 0.66 HSD17B10 (0.71) GAAMAPTALDH1A1HSP90AA1LMNA
SCHEMBL9154171 0.66 HSD17B10 (0.71) GAAMAPTALDH1A1HSP90AA1LMNA

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
CN-101014578-B Triazole derivative or salt thereof ASTELLAS PHARMA INC 2011-01-19 CN disclosed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
CN-101014578-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-08 CN disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 GAA 1908/4885MAPT 3403/4885ALDH1A1 288/4885

“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.