SCHEMBL6080459

SCHEMBL6080459

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
ASPH Q12797 1/20 0.40
IGFBP3 P17936 3/20 0.39
KMO O15229 5/20 0.37
RBP4 P02753 2/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4A O75164 1/20 0.34
IGFBP1 P08833 1/20 0.34
IGFBP2 P18065 1/20 0.34
IGFBP4 P22692 1/20 0.34
IGFBP6 P24592 1/20 0.34
IGFBP5 P24593 1/20 0.34

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
SCHEMBL6591655 0.79 MRGPRX4 (0.47)
SCHEMBL6080475 0.76 KDM4E (0.44) KDM4EKMT2AIGFBP3ALOX15TSHR
SCHEMBL6080287 0.76 KDM4E (0.46) KDM4EKMT2AIGFBP3ALOX15TSHR
SCHEMBL6081171 0.74 KDM4E (0.41) KDM4EKMT2AIGFBP3ALOX15TSHR
SCHEMBL9309755 0.73 COMT (0.41) KDM4EKMT2AIGFBP3ALOX15TSHR
SCHEMBL6080071 0.73 KDM4E (0.44) KDM4EKMT2AKMOKDM4A
SCHEMBL10215367 0.72 KMO (0.38) KDM4EKMORBP4
SCHEMBL8123552 0.71 IGFBP3 (0.43) KDM4EKMT2AASPHIGFBP3KMO
SCHEMBL10215322 0.71 EPRS1 (0.53) KDM4EKMT2AASPHIGFBP3KMO
SCHEMBL10215355 0.71 LDHA (0.45) KDM4EKMT2AIGFBP3KMORBP4

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 1 patent. 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 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 1384/4885ASPH 2569/4885

“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.