SCHEMBL4598527

SCHEMBL4598527

O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
KDM4E B2RXH2 2/20 0.64
HSPB1 P04792 2/20 0.61
GAA P10253 2/20 0.56
MAPT P10636 7/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 2/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL3138637 0.91 HSPB1 (0.69) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL20932230 0.84 HSPB1 (0.82) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL31621360 0.84 ALDH1A1 (0.81) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL1858711 0.81 HSPB1 (0.61) ALDH1A1L3MBTL1KDM4EHSPB1MAPT
Ethylene SCHEMBL3129087 0.80 HSPB1 (0.52) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL7807343 0.80 L3MBTL1 (0.68) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL620049 0.79 HSPB1 (0.64) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL177836 0.79 HSPB1 (0.64) ALDH1A1L3MBTL1HSPB1GAAMAPT
SCHEMBL16761909 0.78 ALDH1A1 (0.71) ALDH1A1L3MBTL1KDM4EHSPB1GAA
SCHEMBL8016820 0.78 KDM4E (0.77) ALDH1A1L3MBTL1KDM4EGAAMAPT

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 3484/4885L3MBTL1 3305/4885KDM4E 3689/4885

“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.