SCHEMBL4597870

SCHEMBL4597870

N#Cc1ccc(Oc2ccc(C=O)cn2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.39
OPRM1 P35372 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.35
CHEK1 O14757 1/20 0.35
CCR2 P41597 1/20 0.34
P2RX3 P56373 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL450834 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1SMN1; SMN2LMNA
SCHEMBL6198763 0.84 L3MBTL1 (0.66) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL31621360 0.81 ALDH1A1 (0.81) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL4598044 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL3692324 0.79 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL1222067 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL4598015 0.77 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1POLBNPC1
SCHEMBL3163774 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1POLBOPRM1
SCHEMBL14663672 0.76 SLC22A12 (0.50) ALDH1A1SMN1; SMN2CHEK1SLC22A12
SCHEMBL24400539 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1POLBNPC1

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.