SCHEMBL6080246

SCHEMBL6080246

COC(=O)c1cc(O)c2c(-c3ccc(Cl)cc3)ccc(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
CXCL12 P48061 2/20 0.39
KCNMA1 Q12791 1/20 0.39
NQO2 P16083 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6593728 0.89 MARS1 (0.42) MAPTMEN1KMT2AALOX15ALOX12
SCHEMBL6079925 0.80 SLC6A4 (0.44) SLC6A4SLC6A3MAPK1MAPTMEN1
SCHEMBL6080548 0.79 MAPT (0.44) MAPK1MAPTMRGPRX4NQO2SMN1; SMN2
SCHEMBL6081116 0.78 NQO2 (0.40) MAPK1MAPTNQO2NPC1ALDH1A1
SCHEMBL6080970 0.78 TNKS (0.54) SLC6A4SLC6A3MRGPRX4KDM4E
SCHEMBL6079878 0.77 EGFR (0.49) MAPK1MAPTKMT2ANQO2L3MBTL1
SCHEMBL6080335 0.76 LMNA (0.46) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL6079767 0.75 KDM4E (0.39) MAPK1MAPTKMT2ANQO2ALDH1A1
SCHEMBL6080466 0.74 EGFR (0.46) MAPK1MAPTMEN1KMT2ANQO2
SCHEMBL6080859 0.74 MCL1 (0.43) KMT2ASMN1; SMN2L3MBTL1KDM4E

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 SLC6A4 1611/4885SLC6A3 1620/4885MAPK1 927/4885

“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.