SCHEMBL4896592

SCHEMBL4896592

N#Cc1cc(-c2ccc(C=O)o2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 5/20 0.55
LMNA P02545 2/20 0.55
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
SIRT5 Q9NXA8 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 1/20 0.40
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL12943050 0.88 KDM4E (0.55) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL30343481 0.82 LDHA (0.59) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL25216489 0.82 LDHA (0.59) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL2365422 0.81 ALDH1A1 (0.66) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL1807252 0.79 AR (0.50) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL922038 0.75 RPA1 (0.63) ALDH1A1KDM4ESIRT5PGRCNR2
SCHEMBL4392533 0.74 KDM4E (0.61) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL2319080 0.74 KDM4E (0.60) ALDH1A1KDM4ELMNALDHALDHB
Alcohol SCHEMBL1809310 0.73 SIRT5 (0.48) ALDH1A1KDM4ELMNAMAPTSIRT5
SCHEMBL396870 0.73 ALDH1A1 (0.80) ALDH1A1KDM4ELMNALDHALDHB

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 6 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-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
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
EP-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 EP disclosed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 WO 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 3961/4885KDM4E 2561/4885LMNA 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.