SCHEMBL4598044

SCHEMBL4598044

O=Cc1ccc(Oc2ccc(Cl)nc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6142793 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1POLBMEN1
SCHEMBL30703390 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1POLBMEN1
SCHEMBL16838776 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1POLBMEN1
SCHEMBL31621360 0.83 ALDH1A1 (0.81) ALDH1A1KDM4EL3MBTL1POLBMEN1
6-Chloronicotinaldehyde SCHEMBL453853 0.81
6-Chloronicotinaldehyde SCHEMBL29694763 0.81
SCHEMBL8006810 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1POLBMEN1
6-Chloronicotinaldehyde SCHEMBL27615551 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL4597870 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL24400539 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1POLBMAPT

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 3689/4885L3MBTL1 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.