SCHEMBL1412944

SCHEMBL1412944

COc1ccccc1CCNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.80
ABCB11 O95342 1/20 0.80
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 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
SCHEMBL1412860 0.91 P2RX7 (0.77) P2RX7ABCB11MEN1KMT2ATP53
SCHEMBL1412901 0.89 P2RX7 (1.00) P2RX7ABCB11
SCHEMBL1412819 0.89 P2RX7 (0.68) P2RX7ABCB11MAPTSMN1; SMN2TP53
SCHEMBL1412894 0.88 P2RX7 (0.76) P2RX7ABCB11MAPT
SCHEMBL1412850 0.86 P2RX7 (0.84) P2RX7ABCB11
SCHEMBL1412979 0.84 P2RX7 (0.69) P2RX7ABCB11MAPTSMN1; SMN2TP53
SCHEMBL1412852 0.84 P2RX7 (1.00) P2RX7ABCB11MAPTRAB9A
SCHEMBL1412947 0.84 P2RX7 (0.80) P2RX7ABCB11
SCHEMBL1412879 0.83 P2RX7 (0.77) P2RX7ABCB11ROCK2ROCK1TP53
SCHEMBL1412897 0.83 P2RX7 (0.84) P2RX7ABCB11MAPTMEN1KMT2A

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
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US claimed
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
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 866/4885MAPT 4646/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 443/4885MAPT 4444/4885

“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.