SCHEMBL6079592

SCHEMBL6079592

Cc1ccc([N+](=O)[O-])c2nc(C(=O)O)c(C#Cc3ccccc3)c(O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRM5 P41594 3/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.33
DHODH Q02127 1/20 0.33
HSP90AA1 P07900 1/20 0.33
OPRK1 P41145 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6080045 0.86 TSHR (0.36) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL6594657 0.81 ALDH1A1 (0.38) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL6594653 0.81 ALDH1A1 (0.38) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL6079591 0.80 DUSP3 (0.39) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL6080453 0.78 TSHR (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL6080560 0.76 CYP11B1 (0.37) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6079585 0.73 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL10371083 0.72 AKR1C2 (0.45) SMN1; SMN2MAPTNPC1RAB9AGRM5
SCHEMBL6080565 0.72 MAPT (0.36) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
Benzene SCHEMBL6080664 0.72 MAPT (0.39) L3MBTL1KMT2AMEN1MAPTTDP1

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 SMN1; SMN2 2666/4885L3MBTL1 4069/4885KMT2A 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.