SCHEMBL721310

SCHEMBL721310

Nc1ccc(-c2cccc(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.71
MAPT P10636 3/20 0.71
MEN1 O00255 2/20 0.71
POLB P06746 2/20 0.71
KMT2A Q03164 2/20 0.71
TAAR1 Q96RJ0 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.43
ESR2 Q92731 1/20 0.43
FBP1 P09467 2/20 0.43
GALR3 O60755 1/20 0.41
THRB P10828 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
HSPB1 P04792 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
SCHEMBL29655008 1.00 TDP1 (0.71) TDP1MAPTMEN1POLBKMT2A
SCHEMBL720358 0.85 TDP1 (0.79) TDP1MAPTMEN1POLBKMT2A
SCHEMBL28045348 0.85 TDP1 (0.52) TDP1MAPTMEN1POLBKMT2A
SCHEMBL737722 0.84 MAPT (1.00) TDP1MAPTMEN1POLBKMT2A
SCHEMBL29409289 0.84 MAPT (1.00) TDP1MAPTMEN1POLBKMT2A
SCHEMBL6313832 0.83 ALDH1A1 (0.53) TDP1MAPTMEN1POLBKMT2A
SCHEMBL653911 0.83 TDP1 (0.81) TDP1MAPTMEN1POLBKMT2A
SCHEMBL30255693 0.83 TDP1 (0.81) TDP1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973012 0.81 MAPT (0.92) TDP1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973011 0.81 MAPT (0.92) TDP1MAPTMEN1POLBKMT2A

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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE(TGEN (US) 2012-03-01 US claimed
WO-2009100045-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2009-08-13 WO 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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 TDP1 3005/4885MAPT 4212/4885MEN1 2170/4885

“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.