SCHEMBL13058498

SCHEMBL13058498

Cc1sc(-c2ccc(Cl)c(Cl)c2)nc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAP3K14 Q99558 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL13058480 0.87 RAB9A (0.38) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL13058548 0.85 NPC1 (0.40) ALDH1A1KDM4EL3MBTL1MAPTNPC1
SCHEMBL13058476 0.85 SMN1; SMN2 (0.36) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL10237915 0.83 SLC6A3 (0.39) ALDH1A1KDM4EL3MBTL1MAPTMAP3K14
SCHEMBL16215997 0.83 SLC6A3 (0.39) ALDH1A1KDM4EL3MBTL1MAPTMAP3K14
SCHEMBL13058493 0.83 KDM4E (0.34) KDM4EL3MBTL1MAPTNPC1NPSR1
SCHEMBL13058507 0.83 MAPT (0.31) KDM4EL3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL13058478 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1MAPTPKM
SCHEMBL13058543 0.81 FBP1 (0.31) —
SCHEMBL13058516 0.80 MAPT (0.32) ALDH1A1MAPTRAB9A

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
EP-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 — — EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 — — 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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 ALDH1A1 10/4885KDM4E 1070/4885L3MBTL1 1525/4885

“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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