SCHEMBL29304165

SCHEMBL29304165

CC(C)(C)OC(=O)Nc1ccc(OCCCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXRA P19793 3/20 0.43
▸ NR1H2 P55055 3/20 0.43
▸ PPARA Q07869 2/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ DEGS1 O15121 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39

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
SCHEMBL30261526 1.00 MEN1 (0.44) MEN1KMT2ARXRANR1H2PPARA
SCHEMBL30828305 0.80 RAB9A (0.55) KMT2AHDAC1DEGS1POLBGAA
SCHEMBL29304155 0.76 PDK2 (0.39) HDAC1NAMPT
SCHEMBL30261402 0.76 PDK2 (0.39) HDAC1NAMPT
SCHEMBL24738932 0.75 GAA (0.45) HDAC1DEGS1POLBGAAPTGS1
SCHEMBL10087556 0.74 NAMPT (0.49) HDAC1DEGS1NAMPT
SCHEMBL29304401 0.74 MAOB (0.43) MEN1KMT2APPARAPPARD
SCHEMBL8228538 0.74 DEGS1 (0.49) MEN1KMT2AHDAC1DEGS1GAA
SCHEMBL31706891 0.73 GAA (0.44) HDAC1DEGS1POLBGAAPTGS1
SCHEMBL27947682 0.73 NAMPT (0.48) HDAC1DEGS1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 — — US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 — — 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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C MEN1 1307/4885KMT2A 2619/4885RXRA 4348/4885

“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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