SCHEMBL3258301

SCHEMBL3258301

COCC1(OC(=O)C(F)(F)F)NC(c2ccccc2)C(c2ccccc2)N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
ABCB1 P08183 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
FABP7 O15540 1/20 0.32
CHRNA7 P36544 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3252002 0.87 GAA (0.35) GAAADORA3ALDH1A1LMNACACNA1F
SCHEMBL3250688 0.83 ALDH1A1 (0.38) GAAALDH1A1LMNARAB9ATP53
SCHEMBL3253146 0.82 SMN1; SMN2 (0.37) GAAADORA3ALDH1A1RAB9ATP53
SCHEMBL3251167 0.82 P2RX7 (0.36) GAAADORA3ALDH1A1LMNACACNA1F
SCHEMBL3253211 0.82 TDP1 (0.35) GAAALDH1A1LMNACYP2D6TDP1
SCHEMBL3254751 0.82 TDP1 (0.35) GAAALDH1A1LMNACYP2D6TDP1
SCHEMBL3255866 0.82 TDP1 (0.35) GAAALDH1A1LMNACYP2D6TDP1
SCHEMBL3255036 0.82 GAA (0.34) GAALMNACACNA1FCACNA1DCACNA1S
SCHEMBL3253786 0.81 GAA (0.33) GAAALDH1A1RAB9ATP53MEN1
SCHEMBL3256042 0.81 P2RX7 (0.39) GAAADORA3ALDH1A1LMNARAB9A

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 GAA 4232/4885ADORA3 17/4885ALDH1A1 1913/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 GAA 4232/4885ADORA3 17/4885ALDH1A1 1913/4885

“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.