SCHEMBL4598541

SCHEMBL4598541

C=Cc1cnc(N(C)c2ccc(C(=O)OC)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 3/20 0.43
NOTUM Q6P988 1/20 0.43
MAPT P10636 4/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4597721 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK1SMN1; SMN2TSHR
SCHEMBL6011752 0.75 NOTUM (0.61) ALDH1A1KDM4EMAPK1SMN1; SMN2TSHR
SCHEMBL4598148 0.75 MEN1 (0.54) ALDH1A1KDM4EMAPK1NPC1HPGD
SCHEMBL4597971 0.75 MAPT (0.51) ALDH1A1MAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL4596726 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL181754 0.74 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRNPC1GAA
Methoxymethane SCHEMBL28654566 0.72 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRNPC1GAA
SCHEMBL12893704 0.70 NOTUM (0.51) ALDH1A1KDM4EMAPK1SMN1; SMN2TSHR
SCHEMBL10246082 0.70 ALDH1A1 (0.61) ALDH1A1TSHRNPC1MAPTCA1
SCHEMBL5888698 0.70 ALDH1A1 (0.61) ALDH1A1TSHRNPC1MAPTCA1

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 3484/4885KDM4E 3689/4885MAPK1 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.