SCHEMBL13531982

SCHEMBL13531982

COCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.56
ALOX5 P09917 1/20 0.56
CES1 P23141 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.51
MMP8 P22894 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL27460394 0.87 GSK3B (0.54) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL10747787 0.83 MAPT (0.62) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL6308368 0.82 MAPK1 (0.56) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL26083579 0.81 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL5474416 0.81 MEN1 (0.59) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL10855734 0.81 MAPK1 (0.50) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL13546239 0.80 MAPT (0.63) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL11444536 0.80 GSK3B (0.54) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL2542292 0.80 GSK3B (0.54) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL9254186 0.80 GSK3B (0.50) GSK3BMEN1KMT2AALDH1A1MAPT

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-9101670-B2 Conjugates of an anti-TNF-α antibody NEKTAR THERAPEUTICS (US) 2015-08-11 US disclosed
US-20100021481-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY NEKTAR THERAPEUTICS (US) 2010-01-28 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-20100021481-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY TNF, TNFRSF1A, TNFRSF9 GSK3B 3928/4885MEN1 1777/4885KMT2A 4160/4885

“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.