SCHEMBL21652259

SCHEMBL21652259

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(C)(C)C)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ TRPV1 Q8NER1 4/20 0.55
▸ AHR P35869 1/20 0.54
▸ RAB9A P51151 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PPARA Q07869 1/20 0.45
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL25872280 0.88 GAA (0.62) GAAAHRRAB9ARECQLMEN1
SCHEMBL23367868 0.86 GAA (0.60) GAAAHRRAB9ARECQLMEN1
SCHEMBL21652300 0.85 KMT2A (0.65) GAATRPV1RAB9ARECQLMEN1
SCHEMBL23367870 0.84 GAA (0.57) GAAAHRRAB9ARECQLMEN1
SCHEMBL21652164 0.78 MAPT (0.52) GAARAB9ARECQLMEN1KMT2A
SCHEMBL23367943 0.75 MAPT (0.55) GAARAB9ARECQLMEN1KMT2A
SCHEMBL2089134 0.75 AHR (0.65) GAAAHRRAB9AMEN1KMT2A
SCHEMBL23367944 0.74 MEN1 (0.56) GAAAHRRAB9ARECQLMEN1
SCHEMBL5163362 0.74 MAPT (0.54) GAARAB9ARECQLMEN1KMT2A
SCHEMBL7988803 0.74 MAPT (0.52) GAARAB9ARECQLMEN1KMT2A

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-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 — — 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 GAA 297/4885TRPV1 4344/4885AHR 1018/4885

“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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