SCHEMBL3021312

SCHEMBL3021312

COc1ccc([N+](=O)[O-])c(Nc2cnc3c(c2)CC(O)C(NC(=O)O)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 5/20 0.45
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C1 Q04828 2/20 0.45
FBP1 P09467 2/20 0.41
MAPT P10636 6/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3021322 1.00 AKR1C3 (0.45) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL3020855 0.75 CYP1A2 (0.37) KMT2AGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL3020851 0.75 CYP1A2 (0.37) KMT2AGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL3016078 0.71 MTNR1A (0.35) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL3016071 0.71 MTNR1A (0.35) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL3011611 0.68 TXNRD1 (0.37) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2212705 0.68 AKR1C3 (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL4930929 0.68 MAPT (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL19692406 0.67 AKR1C3 (0.52) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL19692405 0.67 AKR1C3 (0.52) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH AKR1C3 3883/4885AKR1C2 3935/4885AKR1B10 4313/4885

“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.