SCHEMBL6080932

SCHEMBL6080932

O=C(OCc1ccccc1)c1nc2c([N+](=O)[O-])cccc2c(O)c1C#CCOCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
COMT P21964 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CTSB P07858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE1C Q14123 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6616134 0.92 MMP2 (0.36) ALDH1A1KMT2AMMP2MMP12CTSB
SCHEMBL6080643 0.81 KMT2A (0.38) ALDH1A1KMT2AMMP2MMP12SMN1; SMN2
SCHEMBL6080329 0.81 KMT2A (0.42) ALDH1A1KMT2ACOMTEGLN1MAPT
SCHEMBL6596253 0.76 MMP2 (0.37) ALDH1A1KMT2AMMP2MMP12CTSB
SCHEMBL6596248 0.76 MMP2 (0.37) ALDH1A1KMT2AMMP2MMP12CTSB
SCHEMBL6079585 0.75 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTKDM4ECTSB
SCHEMBL6080639 0.74 APP (0.43) ALDH1A1KMT2AMMP2MMP12MAPT
SCHEMBL6594653 0.72 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL6594657 0.72 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL6080042 0.72 SMN1; SMN2 (0.36) ALDH1A1KMT2AMAPTKDM4EGAA

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 ALDH1A1 2726/4885KMT2A 1384/4885COMT 599/4885

“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.