SCHEMBL4892436

SCHEMBL4892436

COc1cccc(CNC(=O)c2coc(-c3cc(Cl)ccc3OC)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ANO1 Q5XXA6 1/20 0.51
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MMP13 P45452 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
DGAT2 Q96PD7 1/20 0.47
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4888913 0.91 KDM4E (0.48) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL4890381 0.90 ALDH1A1 (0.47) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL12339930 0.79 HCRTR1 (0.54) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL29194510 0.74 MMP13 (0.54) KDM4EMAPTADORA3ADORA2AADORA2B
SCHEMBL30245405 0.74 MMP13 (0.54) KDM4EMAPTADORA3ADORA2AADORA2B
SCHEMBL4894837 0.74 HSD17B10 (0.46) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL14214491 0.70 ANO1 (0.52) KDM4EANO1MAPTMEN1KMT2A
SCHEMBL8358822 0.70 MMP13 (0.69) KDM4EKMT2AHSD17B10MMP13LMNA
SCHEMBL5332057 0.69 MMP13 (0.82) MAPTMEN1KMT2AMMP13LMNA
SCHEMBL25045937 0.69 NPC1 (0.54) KDM4EMAPTMEN1KMT2AADORA3

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 KDM4E 2561/4885RXFP1 1441/4885ANO1 2814/4885

“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.