SCHEMBL4894837

SCHEMBL4894837

COc1ccc(Cl)cc1-c1nc(C(=O)N[C@@H](C)c2cccc(O)c2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CTSA P10619 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL4898393 1.00 HSD17B10 (0.46) HSD17B10NPSR1MAPTKMT2AMEN1
SCHEMBL4888913 0.81 KDM4E (0.48) HSD17B10NPSR1MAPTKMT2AMEN1
SCHEMBL4895157 0.80 PDE4B (0.51) ALDH1A1THRB
SCHEMBL4886322 0.80 PDE4B (0.51) ALDH1A1THRB
SCHEMBL4892436 0.74 KDM4E (0.53) HSD17B10MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4890381 0.73 ALDH1A1 (0.47) HSD17B10NPSR1MAPTKMT2AMEN1
SCHEMBL12563482 0.72 PDE2A (0.44) HSD17B10NPSR1MAPTCTSA
SCHEMBL1988924 0.70 PDE2A (0.39) HSD17B10NPSR1MAPTCTSAHPGD
SCHEMBL12697463 0.70 PDE2A (0.39) HSD17B10NPSR1MAPTCTSAHPGD
SCHEMBL28029960 0.69 ALDH1A1 (0.71) HSD17B10NPSR1KMT2AMEN1SMN1; SMN2

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 HSD17B10 729/4885NPSR1 2611/4885MAPT 3797/4885

“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.