SCHEMBL4895576

SCHEMBL4895576

COc1ccccc1CNC(=O)c1coc(-c2ccc(O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAOB P27338 1/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 5/20 0.53
POLB P06746 1/20 0.52
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
DGAT2 Q96PD7 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4896516 0.89 MAOB (0.54) MEN1KMT2AMAOBHTTALDH1A1
SCHEMBL13819976 0.79 ANPEP (0.54) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL2171430 0.79 MEN1 (0.58) MEN1KMT2AHTTALDH1A1NPC1
SCHEMBL29131731 0.78 MEN1 (0.57) MEN1KMT2AHTTALDH1A1NPC1
SCHEMBL4899463 0.75 ROCK2 (0.52) MAOBHDAC1HDAC8HDAC6
SCHEMBL2172393 0.74 MEN1 (0.56) MEN1KMT2AHTTALDH1A1NPC1
Hydrochloric Acid SCHEMBL28333659 0.74 HDAC1 (0.58) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL4897286 0.73 MAOB (0.54) KMT2AMAOBALDH1A1HPGDHDAC1
SCHEMBL12339943 0.73 SCD5 (0.49) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL4895437 0.72 HTT (0.53) MEN1KMT2AMAOBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 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 (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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 MEN1 3037/4885KMT2A 3107/4885MAOB 4611/4885

“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.