SCHEMBL3250688

SCHEMBL3250688

O=C(OC1(COc2ccc(F)cc2)NC(c2ccccc2)C(c2ccccc2)N1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD1 P21728 1/20 0.35
PTGER2 P43116 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
POLB P06746 2/20 0.34
HIF1A Q16665 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL3248388 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3254057 0.84 TP53 (0.42) GAAMAPTRAB9AMAPK1L3MBTL1
SCHEMBL3258301 0.83 GAA (0.38) ALDH1A1GAARAB9ALMNATP53
SCHEMBL3258744 0.81 P2RX7 (0.38) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL3252002 0.79 GAA (0.35) ALDH1A1GAARAB9ALMNAL3MBTL1
SCHEMBL3254884 0.77 SIGMAR1 (0.35) ALDH1A1GAATP53
SCHEMBL3255278 0.77 SIGMAR1 (0.35) GAAMAPTTP53MEN1KMT2A
SCHEMBL3255000 0.77 P2RX7 (0.43) ALDH1A1LMNATP53NR4A2
SCHEMBL3248922 0.77 P2RX7 (0.38) ALDH1A1SMN1; SMN2GAALMNAL3MBTL1
SCHEMBL3256725 0.76 GAA (0.33) SMN1; SMN2GAARAB9ALMNAPOLB

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 ALDH1A1 1913/4885SMN1; SMN2 3060/4885GAA 4232/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 ALDH1A1 1913/4885SMN1; SMN2 3060/4885GAA 4232/4885

“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.