SCHEMBL5111555

SCHEMBL5111555

O=C(NCCc1ccccc1Cl)c1cc(Br)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.66
HPGD P15428 1/20 0.61
CYP1A2 P05177 1/20 0.60
HIF1A Q16665 2/20 0.56
ABCB11 O95342 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5118292 0.82 P2RX7 (0.63) P2RX7HIF1AABCB11NPC1RAB9A
SCHEMBL5118090 0.79 P2RX7 (0.67) P2RX7HIF1AABCB11NPC1RAB9A
SCHEMBL2566261 0.79 HPGD (0.69) P2RX7HPGDCYP1A2NPC1POLB
SCHEMBL21177347 0.77 HPGD (0.68) P2RX7HPGDCYP1A2MEN1KMT2A
SCHEMBL18503574 0.77 HIF1A (0.60) HPGDHIF1ANPC1RAB9AMEN1
SCHEMBL4650799 0.76 HIF1A (0.59) P2RX7HIF1ANPC1RAB9ATP53
SCHEMBL11261052 0.76 NPC1 (0.61) P2RX7HPGDHIF1ANPC1RAB9A
SCHEMBL21177405 0.76 HPGD (0.66) P2RX7HPGDCYP1A2POLBMEN1
SCHEMBL29092475 0.76 KMT2A (0.69) HPGDCYP1A2MEN1KMT2A
SCHEMBL4335398 0.76 NPC1 (0.75) NPC1RAB9APOLBMEN1KMT2A

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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 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-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
CN-1585755-A Benzamide and heteroarylamide as P2X7 receptor antagonists PFIZER PROD INC (US) 2005-02-23 CN 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 (3 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 1/4885HPGD 1647/4885CYP1A2 681/4885
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 P2RX7 4/4885HPGD 2387/4885CYP1A2 343/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885HPGD 1566/4885CYP1A2 938/4885

“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.