SCHEMBL6080048

SCHEMBL6080048

O=C(O)c1cc(O)c2c(Cl)cc(Cl)c(O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
TTR P02766 1/20 0.40
IGFBP3 P17936 3/20 0.39
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15B O15296 1/20 0.37
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6078790 0.81 NQO2 (0.52) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL6593961 0.80 TPMT (0.48) GPR35KDM4EKMT2AALOX15TDP1
SCHEMBL6592534 0.75 MCL1 (0.44) KDM4EKMT2AMEN1LMNATP53
SCHEMBL31550535 0.74 ALOX15 (0.41) GPR35KDM4EKMT2AIGFBP3ALOX15
SCHEMBL31550536 0.74 ALOX15 (0.41) GPR35KDM4EKMT2AIGFBP3ALOX15
SCHEMBL10717399 0.74 ALOX15 (0.41) GPR35KDM4EKMT2AIGFBP3ALOX15
SCHEMBL13313445 0.73 ALOX15 (0.52) GPR35KDM4EKMT2AIGFBP3ALOX15
SCHEMBL158714 0.73 IGFBP3 (0.41) GPR35KMT2AIGFBP3ALOX15TSHR
SCHEMBL3823231 0.73 MAPT (0.58) GPR35KDM4EKMT2ATTRALOX15
SCHEMBL29384232 0.73 IGFBP3 (0.41) GPR35KMT2AIGFBP3ALOX15TSHR

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 GPR35 1071/4885KDM4E 1006/4885KMT2A 1384/4885

“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.