SCHEMBL972833

SCHEMBL972833

Nc1cc([N+](=O)[O-])ccc1NCC(O)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GFER P55789 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
THRB P10828 1/20 0.46
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
TSHR P16473 2/20 0.43
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20986073 0.84 MAPT (0.51) TDP1MAPTKMT2AMEN1GFER
SCHEMBL108393 0.80 KMT2A (0.65) TDP1MAPTKMT2AMEN1GFER
SCHEMBL29452975 0.80 MAPT (0.55) TDP1MAPTKMT2AMEN1GFER
SCHEMBL123429 0.80 MAPT (0.55) TDP1MAPTKMT2AMEN1GFER
SCHEMBL29390080 0.80 KMT2A (0.65) TDP1MAPTKMT2AMEN1GFER
SCHEMBL6232719 0.77 ALDH1A1 (0.65) TDP1MAPTKMT2AMEN1GFER
SCHEMBL4978573 0.76 MAPT (0.56) TDP1MAPTKMT2AMEN1GFER
SCHEMBL2468178 0.75 MAPT (0.55) TDP1MAPTKMT2AMEN1GFER
SCHEMBL7358011 0.74 MAPT (0.52) TDP1MAPTKMT2AMEN1GFER
SCHEMBL6001204 0.74 GAA (0.53) TDP1MAPTKMT2AMEN1GFER

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-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed

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-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA TDP1 2312/4885MAPT 322/4885KMT2A 756/4885

“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.