SCHEMBL4896516

SCHEMBL4896516

COc1ccccc1CNC(=O)c1coc(-c2cccc(O)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
HPGD P15428 5/20 0.53
ALDH1A1 P00352 4/20 0.53
DGAT2 Q96PD7 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 3/20 0.50
NPC1 O15118 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 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL4895576 0.89 MEN1 (0.55) MAOBHPGDALDH1A1DGAT2MEN1
SCHEMBL4901507 0.80 HDAC1 (0.52) MAOBHPGDALDH1A1DGAT2POLB
SCHEMBL4889137 0.79 HSD17B1 (0.52) MAOBDGAT2HDAC1HDAC8HDAC6
SCHEMBL4890398 0.77 PDE4B (0.48) MAOBALDH1A1DGAT2KMT2AADORA3
SCHEMBL13819976 0.76 ANPEP (0.54) HPGDALDH1A1DGAT2MEN1KMT2A
SCHEMBL2171430 0.76 MEN1 (0.58) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL4901490 0.76 MAOB (0.53) MAOBHPGDALDH1A1KMT2AADORA3
SCHEMBL29131731 0.75 MEN1 (0.57) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL22972219 0.75 HPGD (0.76) MAOBHPGDALDH1A1HTTNPC1
SCHEMBL4894485 0.74 DGAT2 (0.49) MAOBDGAT2NPC1HDAC1HDAC8

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 2 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 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 MAOB 4611/4885HPGD 1322/4885ALDH1A1 3961/4885

“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.