SCHEMBL13041406

SCHEMBL13041406

Cc1sc(-c2ccc(Br)cc2)nc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ RARA P10276 2/20 0.33
▸ RARB P10826 2/20 0.33
▸ RARG P13631 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ APP P05067 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
SCHEMBL13041486 0.87 PPARA (0.31) KDM4ERARARARBRARGMAPT
SCHEMBL13041400 0.87 RAB9A (0.40) NPC1KDM4EMAPT
SCHEMBL13041410 0.86 PIK3CD (0.40) IDO1KDM4EMAPT
SCHEMBL13041528 0.84 PPARA (0.30) —
SCHEMBL13041483 0.84 PTGDR2 (0.37) NPC1KDM4EMAPTCA1CA2
SCHEMBL13041498 0.83 GSK3A (0.31) NPC1
SCHEMBL13041424 0.81 KDM4E (0.38) NPC1KDM4EMAPTHTT
SCHEMBL13041489 0.81 POLB (0.34) —
SCHEMBL13041415 0.81 PTPN11 (0.34) —
SCHEMBL13041508 0.81 RAB9A (0.38) NPC1MAPTHTTNPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — WO 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 NPC1 4588/4885IDO1 1464/4885KDM4E 2452/4885

“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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