SCHEMBL6080321

SCHEMBL6080321

COC(=O)c1cc(OCc2ccccc2)c2cc(N3CCN(C)CC3)cc([N+](=O)[O-])c2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.49
SIRT6 Q8N6T7 5/20 0.47
HTR6 P50406 7/20 0.43
LRRK2 Q5S007 2/20 0.43
APP P05067 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6080362 0.92 POLB (0.45) METLRRK2APPMAPTMAPK1
SCHEMBL6602148 0.92 MET (0.49) METSIRT6HTR6LRRK2MAPT
SCHEMBL6081022 0.92 ALDH1A1 (0.49) APPMAPTMAPK1KMT2AALDH1A1
SCHEMBL6597740 0.83 POLB (0.48) METLRRK2MAPTMAPK1KMT2A
SCHEMBL6597732 0.83 POLB (0.48) METLRRK2MAPTMAPK1KMT2A
SCHEMBL6079319 0.83 APP (0.45) APPMAPTKMT2AALDH1A1
SCHEMBL6079326 0.83 APP (0.45) APPMAPTKMT2AALDH1A1
SCHEMBL6602382 0.82 ALDH1A1 (0.44) MAPTMAPK1KMT2AALDH1A1
SCHEMBL6080613 0.81 CTSV (0.47) APPMAPTKMT2AALDH1A1
SCHEMBL6080661 0.80 APP (0.43) APPMAPTKMT2AALDH1A1

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 MET 4878/4885SIRT6 118/4885HTR6 2460/4885

“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.