SCHEMBL1412950

SCHEMBL1412950

O=C(NCCc1ccccc1Cl)c1cc(N2CCOC2=O)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.56
ABCB11 O95342 1/20 0.56
HIF1A Q16665 1/20 0.44
CMA1 P23946 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL1412828 0.82 P2RX7 (0.56) P2RX7ABCB11TP53MAPTTNKS
SCHEMBL1412965 0.80 P2RX7 (0.55) P2RX7ABCB11HIF1ATP53MAPT
SCHEMBL5388139 0.74 P2RX7 (0.71) P2RX7ABCB11TP53MAPT
SCHEMBL5111555 0.73 P2RX7 (0.66) P2RX7ABCB11HIF1ATP53
SCHEMBL1412801 0.73 P2RX7 (0.53) P2RX7ABCB11HIF1ATP53MAPT
SCHEMBL5837770 0.72 P2RX7 (0.73) P2RX7ABCB11TP53MAPT
SCHEMBL1412901 0.72 P2RX7 (1.00) P2RX7ABCB11
SCHEMBL3473440 0.71 P2RX7 (0.57) P2RX7ABCB11TP53MAPT
SCHEMBL1412878 0.71 P2RX7 (0.58) P2RX7ABCB11TP53MAPT
SCHEMBL1412846 0.71 P2RX7 (0.72) P2RX7ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448535-B1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-03-16 EP disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2006-03-16 US disclosed
CN-1585755-A Benzamide and heteroarylamide as P2X7 receptor antagonists PFIZER PROD INC (US) 2005-02-23 CN disclosed
EP-1448535-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-08-25 EP disclosed
US-20030186981-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2003-10-02 US disclosed
WO-2003042191-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-22 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-20030186981-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 866/4885HIF1A 59/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 443/4885HIF1A 149/4885

“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.