SCHEMBL3262369

SCHEMBL3262369

CCOC(=O)COCc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.52
PRKCD Q05655 1/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 3/20 0.51
IDO1 P14902 2/20 0.50
NR4A2 P43354 2/20 0.49
MMP1 P03956 1/20 0.49
MMP12 P39900 1/20 0.49
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3248128 0.87 ALOX5 (0.50) PRKCAPRKCDTHRBMAOBHTT
SCHEMBL28787504 0.85 PRKCA (0.56) PRKCAPRKCDTHRBMAOBIDO1
SCHEMBL9593360 0.84 ALDH1A1 (0.62) THRBHTTMAPTL3MBTL1ALDH1A1
SCHEMBL31470432 0.84 THRB (0.56) PRKCAPRKCDTHRBMAOBIDO1
SCHEMBL31484494 0.84 THRB (0.56) PRKCAPRKCDTHRBMAOBIDO1
SCHEMBL701131 0.83 ALDH1A1 (0.61) PRKCAPRKCDTHRBHTTMAPT
SCHEMBL23308028 0.83 PPARA (0.47) ALDH1A1HPGD
SCHEMBL3254928 0.82 MAOB (0.51) MAOBIDO1NR4A2MMP1MMP12
SCHEMBL3255549 0.81 KMT2A (0.51) MAOBIDO1MMP12L3MBTL1ALDH1A1
SCHEMBL13791088 0.81 NLRP3 (0.47) HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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 (2 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 PRKCA 3834/4885PRKCD 3416/4885THRB 1375/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 PRKCA 3834/4885PRKCD 3416/4885THRB 1375/4885

“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.