SCHEMBL3474407

SCHEMBL3474407

Cc1ccc(-n2nc(C(=O)O)c(=O)[nH]c2=O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
STAT1 P42224 2/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
THRA P10827 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL6169134 0.91 P2RX7 (0.51) L3MBTL1STAT1ATMKMT2ATHRA
SCHEMBL1412864 0.84 L3MBTL1 (0.53) L3MBTL1STAT1ATMKMT2ATHRA
SCHEMBL8961569 0.84 L3MBTL1 (0.48) L3MBTL1STAT1ATMKMT2ACA1
SCHEMBL6169137 0.82 P2RX7 (0.47) L3MBTL1STAT1ATMKMT2AP2RX7
SCHEMBL31405697 0.78 THRA (0.47) L3MBTL1STAT1ATMKMT2ACA1
SCHEMBL9132407 0.77 L3MBTL1 (0.55) L3MBTL1ATMKMT2ATHRACYP2D6
SCHEMBL1412845 0.77 P2RX7 (0.59) L3MBTL1KMT2ATHRAALDH1A1P2RX7
SCHEMBL5846631 0.77 MAPT (0.56) L3MBTL1ATMKMT2ATHRACYP2D6
SCHEMBL16703481 0.77 L3MBTL1 (0.46) L3MBTL1STAT1ATMKMT2ATHRA
SCHEMBL3956559 0.76 L3MBTL1 (0.53) L3MBTL1ATMKMT2ATHRACYP2D6

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 13 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
EP-1763353-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X<sb>7</sb> RECEPTOR Warner-Lambert Company LLC (US) 2007-03-21 EP 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
WO-2006003517-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2006-01-12 WO 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 L3MBTL1 3344/4885STAT1 2081/4885ATM 3692/4885
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 L3MBTL1 4384/4885STAT1 3006/4885ATM 4663/4885
US-20060018904-A1 Combination therapies utilizing benzamide inhibitors of the P2X7 receptor CSF3R, CSF1R, IL1R1 L3MBTL1 4024/4885STAT1 440/4885ATM 1413/4885
US-20070281939-A1 Benzamide Inhibitors of The P2X7 Receptor IL1R1, P2RY1, P2RX1 L3MBTL1 3344/4885STAT1 2081/4885ATM 3692/4885
US-20060040939-A1 Benzamide inhibitors of the P2X, receptor IL1R1, P2RX1, P2RX3 L3MBTL1 3246/4885STAT1 2185/4885ATM 4097/4885

“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.