SCHEMBL6080247

SCHEMBL6080247

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
GPR35 Q9HC97 3/20 0.39
FBP1 P09467 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PTGFR P43088 1/20 0.36
DHODH Q02127 1/20 0.35
TSHR P16473 3/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL6079937 0.85 MAPT (0.41) GPR35FBP1MAPTMEN1KMT2A
SCHEMBL6079333 0.81 CRHBP (0.52) ERN1FBP1HTTTDP1PTGFR
SCHEMBL6079860 0.81 CTSB (0.41) GPR35MAPTMEN1KMT2ACTSB
SCHEMBL6080119 0.81 DHODH (0.39) GPR35MAPTMEN1KMT2AHTT
SCHEMBL6080679 0.79 TSHR (0.49) GPR35FBP1MAPTMEN1KMT2A
SCHEMBL6079736 0.79 DHODH (0.38) GPR35MAPTMEN1KMT2AHTT
SCHEMBL6079324 0.77 CTSV (0.40) MAPTMEN1KMT2ALMNAPTGFR
SCHEMBL6080176 0.76 GPR35 (0.43) ERN1GPR35MAPTALDH1A1DHODH
SCHEMBL6080432 0.76 MEN1 (0.44) MAPTMEN1KMT2ADHODH
SCHEMBL6080139 0.75 DHODH (0.36) MAPTHTTKDM4ETDP1ALDH1A1

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 ERN1 4194/4885GPR35 1071/4885FBP1 1265/4885

“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.