SCHEMBL4472185

SCHEMBL4472185

O=C(NC(c1ccccc1)C1CCCCC1)c1cc(-c2nn(CCO)c(=O)[nH]2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.41
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
PDE2A O00408 3/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KCNK3 O14649 1/20 0.36

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
SCHEMBL4473466 0.87 P2RX7 (0.37)
SCHEMBL4472180 0.76 P2RX7 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL4473462 0.74 P2RX7 (0.61)
SCHEMBL1412926 0.73 P2RX7 (0.64) SMYD3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL1415262 0.72 P2RX7 (0.62) SMYD3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL4465053 0.71 SMYD3 (0.38) SMYD3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL4466199 0.71 P2RX7 (0.42) MEN1KMT2A
SCHEMBL5838767 0.70 P2RX7 (0.47) MEN1KMT2A
SCHEMBL4461796 0.70 P2RX7 (0.47) MAPK1KMT2A
SCHEMBL4479948 0.69 CNR2 (0.42) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP disclosed
US-7553972-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2009-06-30 US disclosed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP disclosed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US disclosed
US-7186742-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC (US) 2007-03-06 US disclosed
EP-1626962-B1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PROD INC (US) 2007-02-28 EP disclosed
EP-1626962-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 US disclosed
WO-2004099146-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-11-18 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 (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-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 SMYD3 4433/4885MEN1 2987/4885ALDH1A1 365/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 SMYD3 4433/4885MEN1 2987/4885ALDH1A1 365/4885

“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.