SCHEMBL21652282

SCHEMBL21652282

CC(C)(C)c1csc(-c2cccc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
NTMT1 Q9BV86 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TLR7 Q9NYK1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HCRTR1 O43613 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL26251837 0.83 CCR4 (0.56) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL21652283 0.81 CYP19A1 (0.48) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3506580 0.81 HSD17B1 (0.62) SMN1; SMN2TP53NTMT1POLBLMNA
SCHEMBL21652162 0.80 KDM4E (0.51) KDM4ESMN1; SMN2MAPTTP53NTMT1
SCHEMBL10025209 0.80 SREBF2 (0.54) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL21652239 0.79 RAB9A (0.46) KDM4EMAPTTP53NTMT1MEN1
SCHEMBL3508223 0.79 ALDH1A1 (0.60) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5547117 0.79 KDM4E (0.56) KDM4ESMN1; SMN2MAPTTP53MEN1
SCHEMBL820516 0.76 NTMT1 (0.38) MAPTNTMT1MEN1KMT2AALDH1A1
SCHEMBL6528000 0.76 ALDH1A1 (0.48) KDM4ESMN1; SMN2MAPTTP53MEN1

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 KDM4E 274/4885SMN1; SMN2 1799/4885MAPT 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.