SCHEMBL4596324

SCHEMBL4596324

COC(=O)c1ccc(Oc2ccc(Br)c(C)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
HAO1 Q9UJM8 1/20 0.48
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
STAT3 P40763 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL21656526 0.81 LMNA (0.63) LMNAMAPK1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL19622337 0.80 LMNA (0.50) LMNAMAPK1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL6341725 0.77 OPRM1 (0.47) LMNAL3MBTL1MAPTRAB9AMEN1
SCHEMBL23474086 0.77 LMNA (0.52) LMNAMAPK1KDM4EL3MBTL1PDE4B
SCHEMBL619879 0.77 LMNA (0.61) LMNAMAPK1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL12157057 0.77 LMNA (0.65) LMNAMAPK1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL28106567 0.77 LMNA (0.61) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL21838860 0.77 LMNA (0.65) LMNAMAPK1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL15684885 0.77 LMNA (0.61) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL3586183 0.76 LMNA (0.60) LMNAMAPK1KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (1 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 LMNA 4700/4885HAO1 4393/4885MAPK1 1081/4885

“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.