SCHEMBL6079236

SCHEMBL6079236

O=C(NO)c1nc2ccccc2c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
APP P05067 1/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
BBOX1 O75936 3/20 0.43
EGLN1 Q9GZT9 3/20 0.43
FTO Q9C0B1 2/20 0.43
MMP3 P08254 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL752001 0.85 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1BBOX1EGLN1
SCHEMBL296952 0.82 ALDH1A1 (0.63) MAPTSMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL29849579 0.82 ALDH1A1 (0.63) MAPTSMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL1332157 0.79 MAP2K3 (0.50) ACHEMAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL29402079 0.71 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL6783762 0.71 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL6079707 0.71 KDM4E (0.48) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL2908831 0.70 ALDH1A1 (0.62) MAPTSMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL5388884 0.70 ALDH1A1 (0.57) MAPTSMN1; SMN2ALDH1A1BBOX1EGLN1
SCHEMBL28149300 0.70 ALDH1A1 (0.57) ACHEMAPTSMN1; SMN2ALDH1A1HSD17B10

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 1 patent. 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 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 HDAC8 3239/4885HDAC6 752/4885HDAC7 754/4885

“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.