SCHEMBL6079537

SCHEMBL6079537

Nc1cc(C(=O)O)nc2c(O)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 2/20 0.49
PIM1 P11309 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4A O75164 1/20 0.44
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IGFBP3 P17936 3/20 0.41
PARP1 P09874 3/20 0.40
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
IDO1 P14902 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
SCHEMBL6080191 0.87 KDM4E (0.45) KDM4EKMT2ARAB9AALOX15TSHR
Xanthurenate SCHEMBL379760 0.85 KDM4E (0.59) KDM4EKMT2ACYP1A2PIM1L3MBTL1
Xanthurenate SCHEMBL29911018 0.85 KDM4E (0.59) KDM4EKMT2ACYP1A2PIM1L3MBTL1
Xanthurenate SCHEMBL29394132 0.85 KDM4E (0.59) KDM4EKMT2ACYP1A2PIM1L3MBTL1
SCHEMBL6080405 0.82 NQO2 (0.47) KDM4ECYP1A2PIM1TSHRPARP1
SCHEMBL6080058 0.81 KDM4E (0.46) KDM4EKMT2ARAB9AALOX15TSHR
SCHEMBL6080102 0.81 KDM4E (0.56) KDM4EKMT2ACYP1A2PIM1L3MBTL1
SCHEMBL6079734 0.78 MMP2 (0.54) KDM4EKMT2ACYP1A2L3MBTL1KDM4A
SCHEMBL27368678 0.78 KDM4E (0.51) KDM4EKMT2ACYP1A2PIM1L3MBTL1
SCHEMBL29531273 0.77 ALOX15 (0.64) KDM4EKMT2APIM1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL KDM4E 1006/4885KMT2A 1384/4885CYP1A2 117/4885

“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.