SCHEMBL4897783

SCHEMBL4897783

O=C(Nc1cccc(O)c1)c1coc(-c2cccc(O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
PDE4B Q07343 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4897161 0.92 HSD17B1 (0.57) HDAC1HDAC8HDAC6PDE4BSMN1; SMN2
SCHEMBL19382473 0.82 HDAC1 (0.74) HDAC1HDAC8HDAC6PDE4BSMN1; SMN2
SCHEMBL4901507 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL4889137 0.78 HSD17B1 (0.52) HDAC1HDAC8HDAC6PDE4BHSD17B1
SCHEMBL31604668 0.78 MLLT1 (0.64) HDAC1HDAC8HDAC6PDE4BMEN1
SCHEMBL4895157 0.77 PDE4B (0.51) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL4886322 0.77 PDE4B (0.51) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL31604651 0.77 MLLT1 (0.63) HDAC1HDAC8HDAC6PDE4BMEN1
SCHEMBL21775993 0.77 POLB (0.68) HDAC6SMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL4890398 0.75 PDE4B (0.48) HDAC1HDAC8HDAC6PDE4BALDH1A1

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 HDAC1 306/4885HDAC8 956/4885HDAC6 1657/4885

“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.