SCHEMBL4597817

SCHEMBL4597817

C=Cc1cnc(Oc2ccc(C(=O)OC)cc2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4597993 0.88 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4597767 0.84 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4597669 0.83 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4597971 0.82 MAPT (0.51) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4608893 0.77 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL24125032 0.76 GAA (0.64) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4598790 0.76 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4598308 0.75 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL4093965 0.75 MAPT (0.51) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA
SCHEMBL24124575 0.74 TDP1 (0.67) ALDH1A1GAAL3MBTL1SMN1; SMN2GLA

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 ALDH1A1 3484/4885GAA 4340/4885L3MBTL1 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.