SCHEMBL6079780

SCHEMBL6079780

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 2/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
KMT2A Q03164 2/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 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
SCHEMBL6592928 0.90 CTSV (0.47) APPPOLBCTSVCTSLSENP8
SCHEMBL6592924 0.90 CTSV (0.47) APPPOLBCTSVCTSLSENP8
SCHEMBL6080347 0.82 MRGPRX4 (0.42) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL6080025 0.82 MRGPRX4 (0.42) ALDH1A1MAPTGAAKMT2ATDP1
SCHEMBL6081081 0.81 PTGER1 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2906705 0.79 MAPT (0.49) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL8562941 0.78 MAPT (0.57) ALDH1A1MAPTKDM4EGAARXFP1
SCHEMBL6079326 0.78 APP (0.45) APPALDH1A1MAPTPOLBCTSV
SCHEMBL6079319 0.78 APP (0.45) APPALDH1A1MAPTPOLBCTSV
SCHEMBL6080317 0.77 MEN1 (0.39) ALDH1A1MAPTRXFP1KMT2ASENP8

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 APP 442/4885ALDH1A1 2726/4885MAPT 1575/4885

“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.