SCHEMBL4901490

SCHEMBL4901490

O=C(NCc1cccc(F)c1)c1coc(-c2cccc(O)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
PDE4B Q07343 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SRC P12931 1/20 0.44
SCD O00767 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL4890398 0.92 PDE4B (0.48) MAOBADORA3ADORA2AADORA2BADORA1
SCHEMBL4901507 0.92 HDAC1 (0.52) MAOBPDE4BHDAC1HDAC8HDAC6
SCHEMBL4897286 0.91 MAOB (0.54) MAOBADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL28336261 0.90 HDAC1 (0.55) MAOBADORA3ADORA2AADORA2BADORA1
SCHEMBL4899463 0.86 ROCK2 (0.52) MAOBPDE4BHDAC1HDAC8HDAC6
SCHEMBL4889137 0.86 HSD17B1 (0.52) MAOBPDE4BHDAC1HDAC8HDAC6
SCHEMBL4894485 0.81 DGAT2 (0.49) MAOBHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL28333714 0.78 KMT2A (0.60) MAOBADORA2AADORA1HDAC1HDAC8
SCHEMBL4897133 0.76 ROCK2 (0.42) PDE4BHDAC1HDAC8HDAC6SRC
SCHEMBL4891848 0.76 CDC7 (0.45) SRCROCK2ROCK1

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 2 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 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 MAOB 4611/4885ADORA3 2470/4885ADORA2A 3524/4885

“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.