SCHEMBL21652300

SCHEMBL21652300

Cc1nc(C(F)(F)F)c(C(=O)Nc2cccc(C(C)(C)C)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ MAPT P10636 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ RECQL P46063 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ P2RX1 P51575 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
SCHEMBL21652259 0.85 GAA (0.58) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL10213156 0.79 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL25872280 0.79 GAA (0.62) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL29239925 0.78 KMT2A (0.49) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL23367868 0.77 GAA (0.60) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL21652164 0.76 MAPT (0.52) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL23367870 0.75 GAA (0.57) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL23367943 0.74 MAPT (0.55) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL23367944 0.73 MEN1 (0.56) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL21652178 0.73 LMNA (0.67) KMT2ASMN1; SMN2RAB9ANPC1TP53

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 KMT2A 2248/4885MEN1 1179/4885MAPT 2953/4885

“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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