SCHEMBL21652234

SCHEMBL21652234

CC(C)(C)c1csc(-c2ccccc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.46
MPL P40238 1/20 0.46
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21652197 0.84 PIM1 (0.43) CCR4NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL30310815 0.84 MPL (0.47) MPLNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6229174 0.82 CCR4 (0.46) CCR4NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL820516 0.81 NTMT1 (0.38) CCR4NPC1RAB9AKMT2AMEN1
SCHEMBL18157876 0.78 CCR4 (0.46) CCR4NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL10025209 0.78 SREBF2 (0.54) CCR4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4743676 0.76 NPC1 (0.55) CCR4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5536800 0.76 PDE10A (0.53) MPLNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL21652162 0.75 KDM4E (0.51) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL21652239 0.75 RAB9A (0.46) CCR4NPC1RAB9ATP53KMT2A

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 CCR4 1089/4885MPL 3570/4885NPC1 4630/4885

“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.