SCHEMBL4013929

SCHEMBL4013929

O=C(O)c1cc(F)cc([N+](=O)[O-])c1-c1c(C(=O)O)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.45
DTYMK P23919 1/20 0.45
TSHR P16473 3/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.39
LMNA P02545 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KCNMA1 Q12791 1/20 0.38

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
SCHEMBL7226885 0.86 HKDC1 (0.48) TTRDTYMKTSHRCASP6ALDH1A1
SCHEMBL912596 0.85 TTR (0.45) TTRDTYMKTSHRCASP6TDP1
SCHEMBL204106 0.84 TTR (0.55) TTRDTYMKTSHRTDP1LMNA
SCHEMBL21749958 0.84 CA1 (0.49) TTRDTYMKTSHRCASP6TDP1
SCHEMBL31451583 0.82 TSHR (0.56) TTRDTYMKTSHRCASP6TDP1
SCHEMBL27628260 0.82 GPR35 (0.44) TTRDTYMKTSHRCASP6TDP1
SCHEMBL505189 0.82 ALDH1A1 (0.50) TTRDTYMKTSHRCASP6TDP1
SCHEMBL2041245 0.82 TSHR (0.56) TTRDTYMKTSHRCASP6TDP1
SCHEMBL4017658 0.82 AKR1C2 (0.44) TTRDTYMKTSHRCASP6TDP1
SCHEMBL2039182 0.80 LMNA (0.44) TTRDTYMKTSHRCASP6TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH TTR 175/4885DTYMK 2136/4885TSHR 121/4885

“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.