SCHEMBL6080604

SCHEMBL6080604

COC(=[18O])c1cc(O)c2cc(-c3cccnc3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
CYP19A1 P11511 4/20 0.44
SMPD1 P17405 2/20 0.42
PDPK1 O15530 1/20 0.41
LRRK2 Q5S007 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
IKBKB O14920 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 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
SCHEMBL6080624 0.89 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1SMPD1PDPK1
SCHEMBL6593585 0.86 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1SMPD1PDPK1
SCHEMBL6081276 0.74 LMNA (0.42) LRRK2LMNAMAPT
SCHEMBL6080629 0.74 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1SMPD1PDPK1
SCHEMBL6080550 0.73 MAPT (0.45) LMNAMAPTKDM4EALDH1A1CYP1A2
SCHEMBL6080319 0.73 CNR1 (0.46) SMPD1LMNAMAPT
SCHEMBL6592298 0.73 MCL1 (0.53) MAPTMAPK1
SCHEMBL6595828 0.73 MRGPRX4 (0.44)
SCHEMBL6079735 0.72 NOTUM (0.46) LMNA
SCHEMBL6594732 0.70 MCL1 (0.49)

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 CYP11B1 633/4885CYP11B2 477/4885CYP19A1 988/4885

“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.