SCHEMBL4317593

SCHEMBL4317593

NNC(=O)c1ccc(OCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AR P10275 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMPD1 P17405 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP10 Q53GL7 1/20 0.46
LTA4H P09960 1/20 0.45
NR4A2 P43354 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
SCHEMBL1941274 0.88 MAOB (0.57) MAOBMAPTALDH1A1SMN1; SMN2AR
SCHEMBL9440542 0.87 MAOB (0.53) MAOBMAPTNPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL9440550 0.87 MAOB (0.56) MAOBMAPTALDH1A1SMN1; SMN2AR
SCHEMBL18648449 0.85 MAOB (0.54) MAOBMAPTNPC1ALDH1A1RAB9A
SCHEMBL13784795 0.79 THRB (0.59) ALDH1A1HTT
SCHEMBL2633928 0.78 EPHX2 (0.54) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4325289 0.78 MAOB (0.40) MAOBMAPTNPC1ALDH1A1RAB9A
SCHEMBL5193436 0.77 MAOB (0.45) MAOBARMRGPRX4
SCHEMBL8808194 0.76 AR (0.53) MAOBMAPTRAB9ASMN1; SMN2AR
SCHEMBL22568217 0.76 NPC1 (0.56) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
CN-101475538-A Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO INC (US) 2009-07-08 CN disclosed
CN-100471854-C Triazole derivatives as 11-beta-hydroxysteroid dehydrogenase-1 inhibitors MERCK & CO INC (US) 2009-03-25 CN disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
CN-1726206-A Triazole derivatives as 11-beta-hydroxysteroid dehydrogenase-1 inhibitors MERCK & CO INC (US) 2006-01-25 CN disclosed
EP-1581515-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2005-10-05 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 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 (3 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-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1498/4885MAPT 3505/4885NPC1 310/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1563/4885MAPT 3463/4885NPC1 312/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1498/4885MAPT 3505/4885NPC1 310/4885

“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.