SCHEMBL4893495

SCHEMBL4893495

O=C(NCc1cccc(O)c1)c1ccc(-c2ccc(O)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 8/20 0.61
HPGD P15428 6/20 0.61
LMNA P02545 3/20 0.61
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
RECQL P46063 1/20 0.50
SRC P12931 1/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN1 P18031 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL4893613 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDLMNAROCK2
SCHEMBL4897032 0.89 HPGD (0.55) ALDH1A1KDM4EHPGDLMNAROCK2
SCHEMBL4896975 0.89 KDM4E (0.67) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL4896955 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL4897438 0.83 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL20764007 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL20764223 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL4896863 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL4891729 0.80 PRKACA (0.46) ALDH1A1KDM4EHPGDLMNAROCK2
SCHEMBL4888993 0.80 ROCK2 (0.49) ALDH1A1KDM4EHPGDLMNAROCK2

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 8 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-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
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
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
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 ALDH1A1 3961/4885KDM4E 2561/4885HPGD 1322/4885

“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.