SCHEMBL4598095

SCHEMBL4598095

COC(=O)c1ccc(C(=O)c2ccc(CBr)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.47
PKM P14618 1/20 0.45
CYP4A11 Q02928 3/20 0.44
MAPT P10636 4/20 0.44
CYP4F2 P78329 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL18666819 0.86 VNN1 (0.52) MAPK1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL1437036 0.85 MAPK1 (0.59) MAPK1KDM4EL3MBTL1LOXL2PKM
SCHEMBL30346498 0.85 MAPK1 (0.59) MAPK1KDM4EL3MBTL1LOXL2PKM
SCHEMBL1774489 0.81 LOXL2 (0.59) MAPK1KDM4ELOXL2CYP4A11MAPT
SCHEMBL33494 0.79 LOXL2 (0.66) MAPK1KDM4ELOXL2CYP4A11MAPT
SCHEMBL4597889 0.79 MAPK1 (0.60) MAPK1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL16880756 0.78 KDM4E (0.47) MAPK1KDM4EL3MBTL1LOXL2PKM
SCHEMBL4050879 0.78 LOXL2 (0.63) MAPK1KDM4ELOXL2CYP4A11MAPT
Bromide SCHEMBL4809006 0.78 LOXL2 (0.63) MAPK1KDM4ELOXL2CYP4A11MAPT
SCHEMBL4598138 0.77 PKM (0.45) MAPK1KDM4EL3MBTL1LOXL2PKM

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 MAPK1 1081/4885KDM4E 3689/4885L3MBTL1 3305/4885

“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.