SCHEMBL16893363

SCHEMBL16893363

COc1ccc(NC(=N)SCOC(=O)C(C)C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL16893364 0.84 KMT2A (0.39) HPGDKMT2AALDH1A1TSHR
Iodide SCHEMBL11166244 0.74 RAB9A (0.48) RAB9AGAAHPGDSMN1; SMN2NPC1
SCHEMBL16893355 0.74 LMNA (0.44) GAAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14576943 0.73 NOS3 (0.40) RAB9AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL14576946 0.73 NOS3 (0.40) RAB9AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL14576944 0.73 NOS3 (0.40) RAB9AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL13368241 0.73 ALDH1A1 (0.59) RAB9AGAAHPGDSMN1; SMN2NPC1
SCHEMBL6371005 0.72 RAB9A (0.75) RAB9AGAASMN1; SMN2NPC1CA12
SCHEMBL6117229 0.72 RAB9A (0.61) RAB9AGAAHPGDNPC1CA12
SCHEMBL12863527 0.71 RAB9A (0.54) RAB9AGAAHPGDSMN1; SMN2NPC1

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-20150196033-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (IN) 2015-07-16 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-20150196033-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT RAB9A 277/4885GAA 350/4885HPGD 2084/4885

“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.