SCHEMBL3257579

SCHEMBL3257579

S=C1NCC[N+]1(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL5585934 0.70 POLB (0.31)
SCHEMBL8335371 0.60 KDM4E (0.31) GAAHPGD
SCHEMBL4907271 0.59 ORAI1 (0.40)
Hydrochloric Acid SCHEMBL7936288 0.58 ORAI1 (0.36)
Hydrochloric Acid SCHEMBL7932226 0.58 ORAI1 (0.36)
SCHEMBL4893829 0.58 CYP1A2 (0.35) LMNATP53
SCHEMBL15282149 0.58 CYP1A2 (0.35) LMNATP53
SCHEMBL4903817 0.58 ALDH1A1 (0.33) LMNAALOX12
SCHEMBL9699016 0.57 ORAI1 (0.38) LMNA
SCHEMBL5392162 0.57 ORAI1 (0.38) LMNA

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 LMNA 2997/4885TP53 3080/4885GAA 4232/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 LMNA 2997/4885TP53 3080/4885GAA 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.