SCHEMBL31429322

SCHEMBL31429322

O=C(O)c1nn(CC(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
HDAC9 Q9UKV0 5/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
AR P10275 1/20 0.37
CES1 P23141 3/20 0.37
PDE10A Q9Y233 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL31429289 0.83 NPC1 (0.46) ALDH1A1GAARAB9AL3MBTL1
SCHEMBL19207006 0.81 AURKA (0.38) AURKAAURKBHDAC9PDE10AALDH1A1
SCHEMBL1738694 0.80 ALDH1A1 (0.46) PTGIRALDH1A1GAARAB9AL3MBTL1
SCHEMBL12859238 0.76 PDE10A (0.37) PTGIRAURKAAURKBHDAC9AR
SCHEMBL1973192 0.75 HTT (0.39) HDAC9RAB9AL3MBTL1FAAH
SCHEMBL20239607 0.72 ALDH1A1 (0.40) ALDH1A1RAB9AL3MBTL1
SCHEMBL20028437 0.71 NPC1 (0.37) PTGIRHDAC9HDAC1HDAC2HDAC3
SCHEMBL2817067 0.71 HCRTR1 (0.42) PTGIRALDH1A1
SCHEMBL29805613 0.71 PDE10A (0.38) HDAC9PDE10A
SCHEMBL28427348 0.70 HCRTR1 (0.42) PTGIRALDH1A1

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-20250092014-A1 COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE METREA BIOSCIENCES INC (US) 2025-03-20 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-20250092014-A1 COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE LPL, LIPA, PNLIP PTGIR 2405/4885AURKA 4668/4885AURKB 4345/4885

“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.