SCHEMBL13077785

SCHEMBL13077785

C=C1SC(C)(C)C(=O)C(c2nc(-c3ccc(Cl)cc3)sc2C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ATM Q13315 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL2762944 0.83 RAB9A (0.41) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL13041360 0.78 RAB9A (0.41) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL13041400 0.77 RAB9A (0.40) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL1160374 0.74 RAB9A (0.43) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL10238174 0.73 RAB9A (0.39) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL13041556 0.71 GAA (0.37) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL2762945 0.71 RAB9A (0.33) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL13058484 0.70 KDM4E (0.36) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL10237934 0.70 RAB9A (0.40) RAB9ASMN1; SMN2POLBKDM4ENPC1
SCHEMBL13078091 0.69 — —

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-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 RAB9A 4207/4885SMN1; SMN2 4435/4885POLB 4580/4885

“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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