SCHEMBL1413043

SCHEMBL1413043

O=C(NC(c1ccccc1)C1CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.47
THRB P10828 3/20 0.43
ABCB11 O95342 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL1412939 0.92 HSD17B1 (0.48) P2RX7THRBHSD17B1HSD17B2
SCHEMBL1412926 0.87 P2RX7 (0.64) P2RX7THRBABCB11MEN1ALDH1A1
SCHEMBL1415262 0.86 P2RX7 (0.62) P2RX7THRBABCB11MEN1ALDH1A1
SCHEMBL1412887 0.86 P2RX7 (0.49) P2RX7THRBABCB11
SCHEMBL5390136 0.85 P2RX7 (0.50) P2RX7THRBABCB11MEN1ALDH1A1
SCHEMBL1413013 0.83 P2RX7 (0.40) P2RX7THRBABCB11MEN1KMT2A
SCHEMBL1412992 0.79 P2RX7 (0.54) P2RX7ABCB11
SCHEMBL1412884 0.79 P2RX7 (0.62) P2RX7THRBABCB11HSD17B1HSD17B2
SCHEMBL1412963 0.77 P2RX7 (0.49) P2RX7THRBABCB11HSD17B1HSD17B2
SCHEMBL1412899 0.76 P2RX7 (0.38) P2RX7THRB

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
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-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 1/4885THRB 1200/4885ABCB11 866/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885THRB 772/4885ABCB11 443/4885

“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.