SCHEMBL6081171

SCHEMBL6081171

O=C(O)c1cc(O)c2c(CO)ccc(O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
IGFBP5 P24593 7/20 0.39
IGFBP3 P17936 3/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4A O75164 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6080969 0.82 LCK (0.41) KDM4EKMT2ARAB9ANPC1LMNA
SCHEMBL6592433 0.78 PTGER1 (0.46)
SCHEMBL6080287 0.78 KDM4E (0.46) KDM4EKMT2AIGFBP5IGFBP3RAB9A
SCHEMBL6080475 0.78 KDM4E (0.44) KDM4EKMT2AIGFBP5IGFBP3RAB9A
SCHEMBL6080071 0.77 KDM4E (0.44) KDM4EKMT2AKDM4A
SCHEMBL9309755 0.74 COMT (0.41) KDM4EKMT2AIGFBP5IGFBP3RAB9A
SCHEMBL6080459 0.74 KDM4E (0.41) KDM4EKMT2AIGFBP5IGFBP3RAB9A
SCHEMBL6080859 0.74 MCL1 (0.43) KDM4EKMT2ASMN1; SMN2L3MBTL1
SCHEMBL6080083 0.74 IGFBP5 (0.36) KDM4EKMT2AIGFBP5IGFBP3RAB9A
SCHEMBL6601324 0.73 GPR35 (0.43) KDM4EIGFBP5IGFBP3LMNAGAA

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 1384/4885IGFBP5 4424/4885

“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.