SCHEMBL4064263

SCHEMBL4064263

FC(F)(F)c1cccc2[nH]c(CCl)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.43
CACNA1C Q13936 4/20 0.43
CACNA1B Q00975 4/20 0.43
CACNA1G O43497 4/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.39
AXL P30530 1/20 0.39
KIF11 P52732 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
NPY5R Q15761 1/20 0.37

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
SCHEMBL1359506 0.79 CCR2 (0.47) CACNA1HCACNA1CCACNA1BPARP1SLC40A1
SCHEMBL4062820 0.78 MGAM (0.51) GAATDP1
SCHEMBL17731701 0.78 NPC1 (0.46) MEN1POLBGAAMAPTKMT2A
SCHEMBL4061481 0.78 MGAM (0.40) POLBGAAL3MBTL1PARP1SLC40A1
SCHEMBL14529005 0.78 PTGES (0.51) CACNA1HCACNA1BPARP1
SCHEMBL3367539 0.78 CCR2 (0.46) CACNA1HCACNA1BPARP1
Lithium Ion SCHEMBL3367542 0.77 CHEK1 (0.44) CACNA1HCACNA1BPARP1SLC40A1
SCHEMBL3593276 0.77 MEN1 (0.53) MEN1POLBGAAMAPTKMT2A
SCHEMBL12934190 0.76 PARP1 (0.50) MEN1POLBGAAMAPTKMT2A
SCHEMBL2307747 0.76 PSMB8 (0.53) GAAL3MBTL1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CACNA1H 4815/4885CACNA1C 4755/4885CACNA1B 4696/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CACNA1H 4380/4885CACNA1C 3916/4885CACNA1B 3838/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CACNA1H 4815/4885CACNA1C 4755/4885CACNA1B 4696/4885

“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.