SCHEMBL6080451

SCHEMBL6080451

COC(=O)c1nc2c([N+](=O)[O-])cccc2c(O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
BLM P54132 2/20 0.43
ALOX15 P16050 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
GPR35 Q9HC97 1/20 0.41
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL6594345 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6594338 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6080329 0.83 KMT2A (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6079815 0.83 CA12 (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6080471 0.81 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6080042 0.79 SMN1; SMN2 (0.36) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6079585 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL28429400 0.78 APP (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6080339 0.78 ADORA2A (0.36) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL6079981 0.76 APP (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1

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 2726/4885MAPT 1575/4885KDM4E 1006/4885

“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.