SCHEMBL1647166

SCHEMBL1647166

COC(=O)c1ccnc(-c2ccc3[nH]cc(C=NO)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
RXFP3 Q9NSD7 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
NR4A2 P43354 2/20 0.42
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1647163 1.00 KDM4E (0.52) KDM4EALOX15L3MBTL1KDM6BKDM5C
SCHEMBL1646920 0.88 KDM4E (0.49) KDM4EALOX15L3MBTL1KDM6BKDM5C
SCHEMBL1646148 0.84 CCNT1 (0.42) KDM4EALOX15L3MBTL1CCNT1CDK9
SCHEMBL1646145 0.84 CCNT1 (0.42) KDM4EALOX15L3MBTL1CCNT1CDK9
SCHEMBL1646149 0.84 CCNT1 (0.42) KDM4EALOX15L3MBTL1CCNT1CDK9
SCHEMBL26613985 0.81 KDM4E (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1647161 0.79 NR4A2 (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1646960 0.78 KDM4E (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL15330462 0.74 ERN1 (0.63) NR4A2ALDH1A1NEK1GPR84AXL
SCHEMBL26619312 0.73 KDM4E (0.50) KDM4EALOX15L3MBTL1KDM6BKDM5C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467378-B1 COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD (KR) 2016-07-27 EP disclosed
US-8729273-B2 Compounds effective as xanthine oxidase inhibitors, method for preparing the same, and pharmaceutical composition containing the same LG LIFE SCIENCES LTD. (KR) 2014-05-20 US disclosed
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG CHEM, LTD. (KR) 2012-07-19 US disclosed
EP-2467378-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG Life Sciences Ltd (KR) 2012-06-27 EP disclosed
WO-2011043568-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2011-04-14 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-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME XDH, PNPO, AOX1 KDM4E 2194/4885ALOX15 171/4885L3MBTL1 4859/4885

“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.