SCHEMBL4062577

SCHEMBL4062577

c1ccc(CNCc2ccc(CNC3CCc4ncccc4O3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CXCR4 P61073 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LTA4H P09960 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM2 P08172 1/20 0.37
TP53 P04637 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL4067809 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4ETSHRLTA4H
SCHEMBL1880250 0.75 L3MBTL1 (0.43) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
SCHEMBL29823333 0.75 GRIN2B (0.49) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
SCHEMBL29823635 0.75 L3MBTL1 (0.43) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
SCHEMBL1883122 0.75 GRIN2B (0.49) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
Bromide SCHEMBL4543066 0.74 L3MBTL1 (0.42) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
Bromide SCHEMBL4550684 0.74 GRIN2B (0.48) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
SCHEMBL13909539 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1CXCR4CYP3A4CYP2D6
SCHEMBL29860055 0.74 L3MBTL1 (0.62) L3MBTL1ALDH1A1CXCR4KDM4EALOX15
SCHEMBL3314110 0.74 L3MBTL1 (0.62) L3MBTL1ALDH1A1CXCR4KDM4EALOX15

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 8 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 claimed
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
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US 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 L3MBTL1 4188/4885ALDH1A1 1755/4885CXCR4 7/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 L3MBTL1 2983/4885ALDH1A1 2001/4885CXCR4 1/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 L3MBTL1 4188/4885ALDH1A1 1755/4885CXCR4 7/4885

“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.