SCHEMBL4889137

SCHEMBL4889137

O=C(NCc1ccc(O)cc1)c1coc(-c2cccc(O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
HDAC1 Q13547 6/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC8 Q9BY41 4/20 0.51
PDE4B Q07343 2/20 0.51
GSK3B P49841 1/20 0.48
KDM1A O60341 1/20 0.45
MAOB P27338 2/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
KLKB1 P03952 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PDE2A O00408 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL4901507 0.92 HDAC1 (0.52) HSD17B1HSD17B2HDAC1HDAC6HDAC8
SCHEMBL4899463 0.88 ROCK2 (0.52) HSD17B1HSD17B2HDAC1HDAC6HDAC8
SCHEMBL4890398 0.87 PDE4B (0.48) HSD17B1HSD17B2HDAC1HDAC6HDAC8
SCHEMBL4901490 0.86 MAOB (0.53) HSD17B1HSD17B2HDAC1HDAC6HDAC8
SCHEMBL4897161 0.83 HSD17B1 (0.57) HSD17B1HSD17B2HDAC1HDAC6HDAC8
SCHEMBL4897286 0.81 MAOB (0.54) HDAC1HDAC6HDAC8PDE4BMAOB
SCHEMBL4894485 0.80 DGAT2 (0.49) HDAC1HDAC6HDAC8MAOBDGAT2
SCHEMBL4896516 0.79 MAOB (0.54) HDAC1HDAC6HDAC8PDE4BMAOB
SCHEMBL4897783 0.78 HDAC1 (0.55) HSD17B1HSD17B2HDAC1HDAC6HDAC8
Hydrochloric Acid SCHEMBL28333714 0.77 KMT2A (0.60) HDAC1HDAC6HDAC8MAOB

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 HSD17B1 198/4885HSD17B2 261/4885HDAC1 306/4885

“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.