SCHEMBL6081161

SCHEMBL6081161

COc1cc(CNCc2ccccc2)cc2c(O)c(C)c(C(=O)O)nc12.O=C(O)c1cc(O)c2cc(CNCc3ccccc3)cc(O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
GPR35 Q9HC97 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
OPRK1 P41145 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL6080422 0.90 KDM4E (0.43) PIM1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6597613 0.88 ALOX15 (0.45) PIM1GPR35KDM4EALOX15MEN1
SCHEMBL6080032 0.82 KDM4E (0.41) KDM4EALOX15L3MBTL1CYP2D6CYP2C19
SCHEMBL6080173 0.81 KDM4E (0.44) PIM1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6081160 0.79 PIM1 (0.38) PIM1KDM4EALOX15MEN1KMT2A
SCHEMBL6080655 0.79 ALOX5 (0.50) GPR35KDM4EALOX15GAA
SCHEMBL6593629 0.77 ALOX5 (0.49) PIM1GPR35KDM4EALOX15GAA
SCHEMBL6081075 0.74 RNASEH1 (0.44)
SCHEMBL6081017 0.72 GPR35 (0.39) GPR35KDM4EALDH1A1
SCHEMBL6081306 0.71 PDE10A (0.45) GPR35KDM4EALOX15ALDH1A1

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 PIM1 3960/4885GPR35 1071/4885KDM4E 1006/4885

“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.