SCHEMBL3034403

SCHEMBL3034403

CC(C)(C)OC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPBWR1 P48145 5/20 0.41
NR3C2 P08235 1/20 0.41
POLB P06746 3/20 0.40
PKM P14618 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNJ1 P48048 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1G2 P78368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL13217181 0.90 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL6324064 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL2449511 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPTKCNJ1
SCHEMBL27354737 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL3035932 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4578043 0.80 IRAK4 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL481566 0.79 EGLN1 (0.40) MAPTMEN1KMT2AGABRA1GABRG2
SCHEMBL3022374 0.79 HRH4 (0.41) SMN1; SMN2MAPTMEN1KMT2AGABRA1
SCHEMBL30707882 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3055116 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 ALDH1A1 348/4885SMN1; SMN2 3196/4885L3MBTL1 1657/4885

“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.