SCHEMBL6080071

SCHEMBL6080071

O=C(O)c1cc(O)c2c(-c3ccccc3)ccc(O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
BACE1 P56817 1/20 0.40
ALOX5 P09917 1/20 0.40
MCL1 Q07820 3/20 0.39
ACMSD Q8TDX5 2/20 0.39
DHFR P00374 1/20 0.39
HNF4A P41235 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MMP2 P08253 2/20 0.38
PTPN1 P18031 1/20 0.37
KMO O15229 1/20 0.37
GPR35 Q9HC97 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL6080859 0.87 MCL1 (0.43) KDM4EKMT2AMCL1KMO
SCHEMBL6079930 0.87 BRD4 (0.38) KDM4EKMT2ABACE1ALOX5MCL1
SCHEMBL6079878 0.85 EGFR (0.49) KDM4EKMT2AALDH1A1
SCHEMBL6592960 0.80 MCL1 (0.48) MCL1PTPN1
SCHEMBL6080950 0.78 KDM4E (0.46) KDM4EKMT2ABACE1ALOX5MCL1
SCHEMBL6081171 0.77 KDM4E (0.41) KDM4EKMT2AKDM4A
SCHEMBL6080627 0.77 MMP2 (0.53) KDM4EKMT2AMCL1ACMSDMMP2
SCHEMBL6080287 0.76 KDM4E (0.46) KDM4EKMT2AMCL1GPR35KDM4A
SCHEMBL6080475 0.76 KDM4E (0.44) KDM4EKMT2AMCL1ACMSDALDH1A1
SCHEMBL6079850 0.76 CYP3A4 (0.52) KDM4EKMT2ABACE1MCL1ACMSD

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 1384/4885BACE1 1921/4885

“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.