SCHEMBL21652283

SCHEMBL21652283

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
TLR7 Q9NYK1 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 2/20 0.43
PIM1 P11309 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CCR4 P51679 1/20 0.41
ABL1 P00519 1/20 0.41

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) KMT2AMAPTMEN1ALDH1A1CNR1
SCHEMBL3506580 0.81 HSD17B1 (0.62) CYP19A1LMNAPIM1SMN1; SMN2CNR1
SCHEMBL21652282 0.81 KDM4E (0.52) TLR7LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL17124797 0.80 GFER (0.53) CYP19A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL10025209 0.80 SREBF2 (0.54) CYP19A1L3MBTL1LMNAKMT2AMAPT
SCHEMBL19625377 0.79 CNR1 (0.48) L3MBTL1KMT2AMAPTKDM4EMEN1
SCHEMBL21652237 0.79 CNR1 (0.46) CNR1CNR2ABL1
SCHEMBL3508223 0.79 ALDH1A1 (0.60) CYP19A1LMNAKMT2APIM1MAPT
SCHEMBL2093334 0.79 CYP2E1 (0.54) CYP19A1TLR7L3MBTL1LMNARXFP1
SCHEMBL21652239 0.76 RAB9A (0.46) L3MBTL1LMNAKMT2AMAPTKDM4E

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 CYP19A1 108/4885TLR7 204/4885L3MBTL1 1154/4885

“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.