SCHEMBL3474356

SCHEMBL3474356

Cc1ccc(-n2ncc(=O)n(CC(=O)N(C)C)c2=O)cc1C(=O)NC(O)C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.41
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
RIPK2 O43353 1/20 0.34
P2RY12 Q9H244 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3476188 0.91 P2RX7 (0.51) P2RX7HPGD
SCHEMBL3475108 0.90 P2RX7 (0.43) P2RX7NPSR1HSD17B10GAAPOLB
SCHEMBL3472526 0.87 P2RX7 (0.43) P2RX7NPSR1HSD17B10GAAPOLB
SCHEMBL3475594 0.86 P2RX7 (0.46) P2RX7NPSR1HSD17B10GAAPOLB
SCHEMBL3473637 0.85 P2RX7 (0.42) P2RX7NPSR1HSD17B10GAAPOLB
SCHEMBL3476058 0.84 P2RX7 (0.57) P2RX7NPSR1HSD17B10GAALMNA
SCHEMBL3472359 0.84 P2RX7 (0.57) P2RX7NPSR1HSD17B10GAALMNA
SCHEMBL3475129 0.81 P2RX7 (0.53) P2RX7
SCHEMBL3473746 0.80 P2RX7 (0.53) P2RX7
SCHEMBL3474832 0.80 P2RX7 (0.51) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671053-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2010-03-02 US disclosed
US-20090042886-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER, INC. (US) 2009-02-12 US disclosed
US-7407956-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2008-08-05 US disclosed
US-20070281939-A1 Benzamide Inhibitors of The P2X7 Receptor PFIZER INC. 2007-12-06 US disclosed
US-7176202-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC. (US) 2007-02-13 US disclosed
US-20060040939-A1 Benzamide inhibitors of the P2X, receptor DOMBROSKI MARK A 2006-02-23 US disclosed
US-20060018904-A1 Combination therapies utilizing benzamide inhibitors of the P2X7 receptor WARNER-LAMBERT COMPANY LLC 2006-01-26 US disclosed
US-6974812-B2 Benzamide inhibitors of the P2X7 Ereceptor PFIZER INC. (US) 2005-12-13 US disclosed
EP-1581232-A1 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Pfizer Products Inc. (US) 2005-10-05 EP disclosed
US-20040180894-A1 such as 2-chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-hydroxy-3-methoxy-propyl)-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl]-benzamide; purinergic receptors (P2x7 E); for treatment of interleukin-1 associated disorders (rheumatoid arthritis) PFIZER INC. 2004-09-16 US disclosed
WO-2004058270-A1 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES PFIZER PRODUCTS INC. (US) 2004-07-15 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 (5 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-20090042886-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885NPSR1 173/4885HSD17B10 4465/4885
US-20040180894-A1 such as 2-chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-hydroxy-3-methoxy-propyl)-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl]-benzamide; purinergic receptors (P2x7 E); for treatment of interleukin-1 associated disorders (rheumatoid arthritis) IL1R1, P2RY1, P2RX7 P2RX7 3/4885NPSR1 259/4885HSD17B10 3676/4885
US-20060018904-A1 Combination therapies utilizing benzamide inhibitors of the P2X7 receptor CSF3R, CSF1R, IL1R1 P2RX7 72/4885NPSR1 668/4885HSD17B10 4600/4885
US-20070281939-A1 Benzamide Inhibitors of The P2X7 Receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885NPSR1 173/4885HSD17B10 4465/4885
US-20060040939-A1 Benzamide inhibitors of the P2X, receptor IL1R1, P2RX1, P2RX3 P2RX7 7/4885NPSR1 144/4885HSD17B10 4626/4885

“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.