SCHEMBL6081116

SCHEMBL6081116

COC(=O)c1cc(O)c2c(Br)ccc(OC)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.40
MAPK1 P28482 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
LCK P06239 1/20 0.37
GRM4 Q14833 1/20 0.36
NPC1 O15118 1/20 0.36
ERN1 O75460 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PTPN11 Q06124 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 0.88 GPR35 (0.47) NQO2ALDH1A1MAPTLCK
SCHEMBL6080807 0.87 LCK (0.43) NQO2ALDH1A1MAPTGAACYP1A2
SCHEMBL6080548 0.85 MAPT (0.44) NQO2MAPK1PDE4DALDH1A1MAPT
SCHEMBL6080412 0.82 LMNA (0.47) CYP1A2NPC1
SCHEMBL6079767 0.81 KDM4E (0.39) NQO2MAPK1PDE4DALDH1A1MAPT
SCHEMBL6080179 0.80 LMNA (0.39) NQO2MAPTGAAERN1
SCHEMBL561388 0.78 RXFP1 (0.40) MAPK1PDE4DMAPTGAACYP1A2
SCHEMBL6080246 0.78 SLC6A4 (0.41) NQO2MAPK1ALDH1A1MAPTNPC1
SCHEMBL4698107 0.76 PDE4D (0.43) NQO2MAPK1PDE4DALDH1A1MAPT
SCHEMBL8755932 0.75 LCK (0.47) NQO2MAPK1ALDH1A1MAPTGAA

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 2 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
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 NQO2 2/4885MAPK1 927/4885PDE4D 362/4885

“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.