SCHEMBL13058507

SCHEMBL13058507

Cc1sc(-c2ccc(I)cc2)nc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL13058476 0.90 SMN1; SMN2 (0.36) MAPTKDM4EGAA
SCHEMBL13058480 0.88 RAB9A (0.38) MAPTKDM4EGAA
SCHEMBL13058493 0.88 KDM4E (0.34) MAPTKDM4EGAAL3MBTL1
SCHEMBL13058543 0.86 FBP1 (0.31) —
SCHEMBL13058478 0.86 ALDH1A1 (0.39) MAPTKDM4EL3MBTL1
SCHEMBL13058548 0.86 NPC1 (0.40) MAPTKDM4EGAAL3MBTL1
SCHEMBL13058546 0.84 — —
SCHEMBL13058498 0.83 ALDH1A1 (0.39) MAPTKDM4EL3MBTL1CYP1A2CYP3A4
SCHEMBL13058527 0.82 RAB9A (0.36) MAPTGAA
SCHEMBL10237965 0.81 RARA (0.31) MAPTKDM4EGAA

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 MAPT 3984/4885KDM4E 1070/4885GAA 509/4885

“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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