SCHEMBL4894551

SCHEMBL4894551

COc1ccccc1CNC(=O)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HTT P42858 3/20 0.68
LMNA P02545 2/20 0.68
MAPT P10636 2/20 0.68
MAPK1 P28482 1/20 0.68
RAB9A P51151 1/20 0.62
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.56
NPC1 O15118 1/20 0.55
S1PR4 O95977 1/20 0.55
GAA P10253 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL4895912 0.85 ALDH1A1 (0.65) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL6323058 0.81 NPC1 (0.51) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL4896863 0.79 ALDH1A1 (0.69) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL4896955 0.77 ALDH1A1 (0.67) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL30715120 0.77 ALDH1A1 (0.65) ALDH1A1LMNAMAPTMAPK1RAB9A
SCHEMBL29195048 0.77 ALDH1A1 (0.65) ALDH1A1LMNAMAPTMAPK1RAB9A
SCHEMBL29195059 0.76 S1PR4 (0.60) ALDH1A1HTTLMNAMAPTRAB9A
SCHEMBL4897438 0.75 ALDH1A1 (0.64) ALDH1A1HTTLMNAMAPTMAPK1
SCHEMBL4945600 0.74 ALDH1A1 (0.67) ALDH1A1LMNAMAPTMAPK1RAB9A
SCHEMBL6427592 0.74 HPGD (0.68) ALDH1A1HTTLMNAMAPTMAPK1

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 ALDH1A1 3961/4885HTT 2077/4885LMNA 2269/4885

“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.