SCHEMBL4064273

SCHEMBL4064273

O=C(NCc1ccccn1)c1ccc(CCl)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
POLB P06746 2/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPK14 Q16539 1/20 0.65
CA2 P00918 1/20 0.64
HPGD P15428 4/20 0.61
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 5/20 0.60
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59

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
SCHEMBL506163 0.86 LMNA (0.70) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL8404650 0.86 LMNA (0.70) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL11626590 0.85 POLB (0.74) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL166484 0.85 LMNA (0.82) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL15947352 0.84 LMNA (0.68) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL28901223 0.84 POLB (0.72) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL21768049 0.84 LMNA (0.76) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL14393413 0.83 HPGD (0.69) LMNAPOLBNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL27843329 0.83 LMNA (0.80) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL95175 0.82 LMNA (0.74) LMNAPOLBNPC1RAB9AMEN1

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-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
CN-1237061-C Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2006-01-18 CN disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
CN-1458929-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-26 CN disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 LMNA 4848/4885POLB 1920/4885NPC1 1735/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 LMNA 4848/4885POLB 1920/4885NPC1 1735/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 LMNA 4848/4885POLB 1920/4885NPC1 1735/4885

“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.