SCHEMBL4598186

SCHEMBL4598186

COC(=O)c1ccc(Sc2ccc(C=O)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 4/20 0.40
BRAF P15056 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 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
SCHEMBL5573750 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDBRAFKDR
SCHEMBL4597494 0.83 ALDH1A1 (0.57) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL4597308 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDKDM4EBRAF
SCHEMBL4598056 0.82 TDP1 (0.54) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL30474744 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL25249488 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL30474819 0.81 MAPT (0.51) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL25222444 0.81 MAPT (0.51) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL26169590 0.81 CA1 (0.56) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL4598138 0.80 PKM (0.45) ALDH1A1KMT2AHPGDMAPTMAPK1

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 3484/4885KMT2A 4627/4885HPGD 1736/4885

“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.