SCHEMBL6080152

SCHEMBL6080152

Cc1c(C(=O)O)nc2c([N+](=O)[O-])cccc2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KLK3 P07288 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
EIF4A1 P60842 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6080679 0.83 TSHR (0.49) FBP1TSHRMEN1KMT2AALDH1A1
SCHEMBL6080463 0.80 TSHR (0.46) TSHRMEN1KMT2AAURKAAURKB
SCHEMBL6079388 0.79 PARP1 (0.41) TSHRALDH1A1TDP1
SCHEMBL28197872 0.79 KMT2A (0.53) FBP1MEN1KMT2AAURKAAURKB
SCHEMBL13313369 0.77 MEN1 (0.60) FBP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6081016 0.77 PDE10A (0.56) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6079333 0.76 CRHBP (0.52) FBP1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL6080761 0.75 MAPT (0.47) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4954968 0.75 MAPT (0.55) TSHRALDH1A1SMN1; SMN2
SCHEMBL6080203 0.74 TSHR (0.40) TSHRAURKAAURKBALDH1A1SMN1; SMN2

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 FBP1 1265/4885TSHR 4728/4885MEN1 740/4885

“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.