SCHEMBL6080179

SCHEMBL6080179

COC(=O)c1cc(O)c2c(Br)ccc([N+](=O)[O-])c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PIM3 Q86V86 1/20 0.37
VCAM1 P19320 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
APP P05067 1/20 0.36
CTSB P07858 2/20 0.36
CTSH P09668 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
NQO2 P16083 1/20 0.35
ERN1 O75460 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL6080546 0.86 LMNA (0.40) LMNAPIM3VCAM1MAPTCTSB
SCHEMBL6591568 0.85 CASP6 (0.39) LMNAMAPTCTSBCTSHMEN1
SCHEMBL6591570 0.85 CASP6 (0.39) LMNAMAPTCTSBCTSHMEN1
SCHEMBL6080807 0.83 LCK (0.43) LMNAGAAMAPTNQO2MEN1
SCHEMBL6081116 0.80 NQO2 (0.40) GAAMAPTNQO2ERN1
SCHEMBL6079964 0.79 SMN1; SMN2 (0.44) LMNAMAPTAPPMYCMAX
SCHEMBL6079981 0.78 APP (0.49) LMNAMAPTAPPCTSBERN1
SCHEMBL6080243 0.77 ABCB1 (0.38) LMNAPIM3VCAM1GAAMAPT
SCHEMBL28429400 0.77 APP (0.48) LMNAGAAMAPTAPPMEN1
SCHEMBL2911144 0.75 KMT2A (0.42) LMNAGAAMAPTNQO2ERN1

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 LMNA 2027/4885PIM3 4001/4885VCAM1 4629/4885

“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.