SCHEMBL6080474

SCHEMBL6080474

Cc1c(C(=O)O)nc2c([N+](=O)[O-])ccc(-c3ccccc3)c2c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DHODH Q02127 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PIN1 Q13526 2/20 0.39
FBP1 P09467 1/20 0.38
MAPT P10636 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
PTGER1 P34995 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL6079966 0.87 KMT2A (0.40) MEN1KMT2APIN1MAPTAPP
SCHEMBL6079453 0.84 MAPT (0.43) MEN1KMT2AMAPT
SCHEMBL6080726 0.83 KMT2A (0.41) MEN1KMT2APIN1MAPTAPP
SCHEMBL6081200 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPT
SCHEMBL6594141 0.80 CYP19A1 (0.47) MEN1KMT2ADHODHCYP19A1CYP11B1
SCHEMBL6594148 0.80 CYP19A1 (0.47) MEN1KMT2ADHODHCYP19A1CYP11B1
Benzene SCHEMBL6080664 0.77 MAPT (0.39) MEN1KMT2APIN1MAPTAPP
SCHEMBL6080724 0.76 MAPT (0.38) MEN1KMT2ADHODHPIN1MAPT
SCHEMBL6080118 0.76 CTSV (0.40) MEN1KMT2ACYP19A1PIN1MAPT
SCHEMBL6079324 0.76 CTSV (0.40) MEN1KMT2ACYP19A1PIN1MAPT

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 MEN1 740/4885KMT2A 1384/4885DHODH 188/4885

“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.