SCHEMBL6080149

SCHEMBL6080149

COC(=O)c1cc(-c2ccccc2)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MMP2 P08253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6594275 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL6594282 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL6079981 0.83 APP (0.49) APPMEN1KMT2AALDH1A1KDM4E
SCHEMBL28429400 0.82 APP (0.48) APPMEN1KMT2AALDH1A1KDM4E
SCHEMBL4971979 0.82 APP (0.50) APPMEN1KMT2AALDH1A1KDM4E
SCHEMBL6080458 0.81 APP (0.49) APPMEN1KMT2AALDH1A1KDM4E
SCHEMBL6079384 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6079947 0.81 ACACA (0.55) MEN1KMT2AALDH1A1KDM4EMMP2
SCHEMBL28429377 0.80 APP (0.46) APPMEN1KMT2AALDH1A1KDM4E
SCHEMBL28420997 0.79 APP (0.46) APPMEN1KMT2AALDH1A1KDM4E

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 3 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
CN-110357880-B Folded body-based chiral fluorescent compound with circular polarization luminescence property and preparation method and application thereof 北京师范大学 2020-07-03 CN disclosed
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 442/4885MEN1 740/4885KMT2A 1384/4885

“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.