SCHEMBL6079591

SCHEMBL6079591

C#Cc1c(C(=O)O)nc2c([N+](=O)[O-])ccc(C)c2c1O.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 2/20 0.39
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERN1 O75460 2/20 0.35
FBP1 P09467 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CASP6 P55212 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
APEX1 P27695 1/20 0.33
MAOA P21397 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL6594661 0.83 DUSP3 (0.41) DUSP3TSHRERN1FBP1CRHBP
SCHEMBL6080724 0.82 MAPT (0.38) MEN1KMT2AMAPT
SCHEMBL6079592 0.80 SMN1; SMN2 (0.36) TSHRL3MBTL1TDP1SMN1; SMN2MEN1
SCHEMBL6080045 0.79 TSHR (0.36) TSHRL3MBTL1TDP1SMN1; SMN2MEN1
SCHEMBL6079406 0.77 GPR35 (0.41) TSHRL3MBTL1TDP1FBP1MEN1
SCHEMBL6080453 0.76 TSHR (0.40) TSHRL3MBTL1TDP1SMN1; SMN2MEN1
Benzene SCHEMBL6080664 0.75 MAPT (0.39) L3MBTL1TDP1MEN1KMT2APOLB
Benzene SCHEMBL6080938 0.74 MAPT (0.37) DUSP3TSHRL3MBTL1TDP1SMN1; SMN2
SCHEMBL6590199 0.70 SENP5 (0.38) L3MBTL1TDP1MEN1KMT2APOLB
SCHEMBL6591707 0.68 TSHR (0.46) TSHRL3MBTL1TDP1SMN1; SMN2MEN1

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 DUSP3 3566/4885TSHR 4728/4885L3MBTL1 4069/4885

“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.