SCHEMBL4899110

SCHEMBL4899110

O=C(NCc1ccc(O)cc1)c1cnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
KDM1A O60341 1/20 0.44
PIN1 Q13526 2/20 0.44
PDE2A O00408 1/20 0.43
USP30 Q70CQ3 1/20 0.43
MT-CO2 P00403 1/20 0.42
ESRRG P62508 1/20 0.41
MMP3 P08254 1/20 0.40
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
SRC P12931 1/20 0.40
HPGDS O60760 1/20 0.40
MAOB P27338 1/20 0.39
GSK3B P49841 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 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
SCHEMBL4896946 0.87 SRC (0.57) PIN1USP30MT-CO2ESRRGROCK2
SCHEMBL4899116 0.87 SRC (0.48) HDAC1KDM1APIN1PDE2AUSP30
SCHEMBL4899070 0.84 MAOB (0.51) ROCK2SRCMAOB
SCHEMBL4886692 0.80 SRC (0.51) HDAC1ROCK2GRK2DGAT2SRC
SCHEMBL4895437 0.79 HTT (0.53) HDAC1ROCK2DGAT2MAOBKDM4E
SCHEMBL4889553 0.78 DEGS1 (0.49) HDAC1PIN1
SCHEMBL4897239 0.78 SRC (0.55) HDAC1KDM1APIN1USP30MT-CO2
SCHEMBL4897159 0.76 ROCK2 (0.49) HDAC1ROCK2SRCMAOBEGLN1
SCHEMBL4890357 0.76 SRC (0.47) HDAC1ROCK2GRK2DGAT2SRC
SCHEMBL4891551 0.74 SRC (0.50) HDAC1KDM1AUSP30ROCK2DGAT2

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 306/4885KDM1A 2951/4885PIN1 3200/4885

“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.