SCHEMBL4558532

SCHEMBL4558532

Cc1ccc(-c2cc(CCO)n[nH]2)cc1C(=O)NCC(O)c1ccccc1.Cc1ccc(-c2cc(CCO)n[nH]2)cc1C(=O)NCCc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.44
HIF1A Q16665 2/20 0.40
F9 P00740 3/20 0.40
TP53 P04637 1/20 0.38
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL4558533 0.89 F9 (0.38) P2RX7F9TP53
SCHEMBL4474336 0.86 KDM4E (0.44) P2RX7F9KDM4EKMT2A
SCHEMBL4458899 0.83 P2RX7 (0.62) P2RX7HIF1ATP53RIPK1KDM4E
SCHEMBL4463754 0.76 P2RX7 (0.62) P2RX7HIF1ATP53KDM4EMEN1
SCHEMBL4474660 0.69 P2RX7 (0.54) P2RX7
SCHEMBL4473116 0.69 P2RX7 (0.54) P2RX7
SCHEMBL4473124 0.68 ROCK2 (0.41) KMT2A
SCHEMBL4474665 0.68 ROCK2 (0.41) KMT2A
SCHEMBL4479554 0.67 P2RX7 (0.57) P2RX7
SCHEMBL11261052 0.67 NPC1 (0.61) P2RX7HIF1AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP disclosed
US-7553972-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2009-06-30 US disclosed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP disclosed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US disclosed
US-7186742-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC (US) 2007-03-06 US disclosed
EP-1626962-B1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PROD INC (US) 2007-02-28 EP disclosed
EP-1626962-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 US disclosed
WO-2004099146-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-11-18 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-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885HIF1A 182/4885F9 4103/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885HIF1A 182/4885F9 4103/4885

“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.