SCHEMBL6080432

SCHEMBL6080432

Cc1c(C(=O)O)nc2c([N+](=O)[O-])cc(OCc3ccccc3)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.43
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
BACE1 P56817 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
DHODH Q02127 1/20 0.40
PIN1 Q13526 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 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
SCHEMBL6590875 0.80 MCL1 (0.45) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6590881 0.80 MCL1 (0.45) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6079333 0.79 CRHBP (0.52) DHODH
SCHEMBL6079324 0.79 CTSV (0.40) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6080118 0.79 CTSV (0.40) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6080427 0.77 LMNA (0.44) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6080666 0.77 MEN1 (0.39) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6080219 0.77 KMT2A (0.39) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6081258 0.77 CTSV (0.47) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6079937 0.76 MAPT (0.41) MEN1KMT2AMAPTNPC1RAB9A

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 1384/4885MAPT 1575/4885

“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.