SCHEMBL4240218

SCHEMBL4240218

Nc1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
HSPB1 P04792 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.42
NR4A1 P22736 1/20 0.41
SOS1 Q07889 1/20 0.41
HTT P42858 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
SCHEMBL4231890 1.00 TDP1 (0.51) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL17786752 0.90 ATM (0.62) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL30317901 0.89 TDP1 (0.50) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL4233404 0.85 HSPB1 (0.64) TDP1ALDH1A1MAPTHSPB1MEN1
SCHEMBL30127752 0.82 TDP1 (0.53) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL16792668 0.82 TDP1 (0.53) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL2549018 0.81 TDP1 (0.45) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL5857081 0.81 TDP1 (0.51) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL863328 0.80 NR4A1 (0.61) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL866003 0.79 ALDH1A1 (0.62) TDP1ALDH1A1MAPTLMNAHSPB1

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R TDP1 2128/4885ATM 4406/4885ALDH1A1 4542/4885

“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.