SCHEMBL30526249

SCHEMBL30526249

COC(=O)N(O)c1cnc(OC)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 4/20 0.37
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ULK1 O75385 3/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ ULK2 Q8IYT8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ APP P05067 2/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL19487056 1.00 S100A9 (0.37) S100A9HDAC3HDAC1HDAC2HDAC6
SCHEMBL17681702 0.86 S100A9 (0.35) S100A9HDAC3HDAC1HDAC2HDAC6
SCHEMBL19483198 0.83 MEN1 (0.33) MEN1KMT2AHSP90AA1
SCHEMBL22360842 0.83 NNMT (0.33) HDAC1PIK3C3HDAC4
SCHEMBL19483202 0.82 HTT (0.35) MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL30526260 0.82 HTT (0.35) MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL19459557 0.82 HDAC4 (0.32) PIK3C3HDAC4APP
SCHEMBL28606787 0.79 HPGD (0.49) KMT2AULK1ALDH1A1MAPT
SCHEMBL30366307 0.79 HPGD (0.49) KMT2AULK1ALDH1A1MAPT
SCHEMBL20647665 0.73 ALPL (0.40) PIK3C3PRKAA1

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-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — 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-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 S100A9 2029/4885HDAC3 409/4885HDAC1 1774/4885

“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.

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