SCHEMBL6079937

SCHEMBL6079937

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
FBP1 P09467 1/20 0.39
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TTR P02766 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NSD2 O96028 1/20 0.36
PLA2G1B P04054 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
SCHEMBL6080247 0.85 ERN1 (0.40) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6079333 0.81 CRHBP (0.52) FBP1HTTSMN1; SMN2TDP1DUSP3
SCHEMBL6079860 0.81 CTSB (0.41) MAPTMEN1KMT2AGPR35
SCHEMBL6080679 0.79 TSHR (0.49) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6080024 0.79 CYP3A4 (0.38) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6080432 0.76 MEN1 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6592301 0.75 ALDH1A1 (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6592306 0.75 ALDH1A1 (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6080184 0.69 MEN1 (0.38) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6079346 0.69 DHODH (0.44) POLBALDH1A1CYP1A2CYP3A4HIF1A

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 MAPT 1575/4885MEN1 740/4885KMT2A 1384/4885

“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.