SCHEMBL6080422

SCHEMBL6080422

COc1cc(CNCc2ccccc2)cc2c(O)c(C)c(C(=O)O)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.39
OPRK1 P41145 1/20 0.39
ADORA2A P29274 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL6081161 0.90 PIM1 (0.41) KDM4EMEN1KMT2AL3MBTL1GAA
SCHEMBL6080655 0.88 ALOX5 (0.50) KDM4EGAAALOX5
SCHEMBL6081017 0.81 GPR35 (0.39) KDM4EALDH1A1ALOX5
SCHEMBL6597613 0.80 ALOX15 (0.45) KDM4EMEN1KMT2AL3MBTL1GAA
SCHEMBL6081306 0.79 PDE10A (0.45) KDM4EALDH1A1
SCHEMBL6080302 0.77 GPR35 (0.44) KDM4EL3MBTL1ALDH1A1CYP3A4PIM1
SCHEMBL6080886 0.77 MAPT (0.44) L3MBTL1CYP2C9CYP2C19
SCHEMBL6080173 0.77 KDM4E (0.44) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL6079763 0.77 PPARA (0.49) CYP3A4CYP2C9CYP2C19ALOX5
SCHEMBL6080942 0.76 HAO1 (0.39) KDM4EMEN1KMT2AL3MBTL1GAA

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 claimed

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 1006/4885MEN1 740/4885KMT2A 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.