SCHEMBL6080475

SCHEMBL6080475

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 1/20 0.44
NQO2 P16083 1/20 0.39
MCL1 Q07820 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 1/20 0.37
IGFBP3 P17936 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
IGFBP5 P24593 3/20 0.36
KDM4A O75164 2/20 0.36
IGFBP1 P08833 1/20 0.36
IGFBP2 P18065 1/20 0.36
IGFBP4 P22692 1/20 0.36
IGFBP6 P24592 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR35 Q9HC97 2/20 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
SCHEMBL6597066 0.82 GPR35 (0.47) KDM4ENQO2ALOX15IGFBP3TDP1
SCHEMBL6080807 0.81 LCK (0.43) KDM4EKMT2ANQO2ALOX15TDP1
SCHEMBL6591570 0.81 CASP6 (0.39) KDM4EKMT2ATSHRIGFBP3TDP1
SCHEMBL6591568 0.81 CASP6 (0.39) KDM4EKMT2ATSHRIGFBP3TDP1
SCHEMBL6080287 0.80 KDM4E (0.46) KDM4EKMT2AMCL1ALOX15TSHR
SCHEMBL6081171 0.78 KDM4E (0.41) KDM4EKMT2AALOX15TSHRHIF1A
SCHEMBL6080071 0.76 KDM4E (0.44) KDM4EKMT2AMCL1KDM4AALDH1A1
SCHEMBL6080459 0.76 KDM4E (0.41) KDM4EKMT2AALOX15TSHRHIF1A
SCHEMBL9309755 0.76 COMT (0.41) KDM4EKMT2AALOX15TSHRHIF1A
SCHEMBL6594874 0.76 FOLH1 (0.47) KDM4EMCL1ALDH1A1

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 1384/4885NQO2 2/4885

“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.