SCHEMBL4896975

SCHEMBL4896975

O=C(NCc1cccc(F)c1)c1ccc(-c2ccc(O)cc2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 4/20 0.67
HPGD P15428 3/20 0.67
MAOB P27338 1/20 0.52
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SRC P12931 1/20 0.51
TP53 P04637 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
THRB P10828 1/20 0.50
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48

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
SCHEMBL20764018 0.89 KDM4E (0.66) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL4893495 0.89 ALDH1A1 (0.61) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL254400 0.81 ROCK2 (0.62) MAOBMAPK1SRCTP53MAPT
SCHEMBL20764245 0.80 ALDH1A1 (0.63) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL4893613 0.80 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL4897032 0.79 HPGD (0.55) KDM4EALDH1A1LMNAHPGDMAOB
SCHEMBL20764007 0.78 ALDH1A1 (0.66) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL4896863 0.77 ALDH1A1 (0.69) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL4894773 0.76 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL4897286 0.75 MAOB (0.54) ALDH1A1LMNAHPGDMAOBSRC

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 KDM4E 2561/4885ALDH1A1 3961/4885LMNA 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.