SCHEMBL25784104

SCHEMBL25784104

Cc1ccc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ TSHR P16473 7/20 0.44
▸ CYP3A4 P08684 4/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ ACHE P22303 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL10686251 0.84 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL25411924 0.84 ALDH1A1 (0.37) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL16739101 0.80 VCP (0.40) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL30186077 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL27857101 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL29686335 0.80 VCP (0.40) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL1199723 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL16738853 0.79 TDP1 (0.49) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL30673293 0.79 TDP1 (0.49) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL19783167 0.77 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4MEN1

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-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ALDH1A1 133/4885TDP1 1140/4885TSHR 4445/4885

“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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