SCHEMBL10238085

SCHEMBL10238085

CSc1ccc(-c2nc(C3C(=O)[C@@H]4CC[C@@H](C4)C3=O)c(C)s2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.32
▸ CDKN1A P38936 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP13 P45452 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
SCHEMBL10237919 0.87 RAB9A (0.38) —
SCHEMBL10237934 0.85 RAB9A (0.40) —
SCHEMBL10238020 0.85 PTGS2 (0.41) —
SCHEMBL10237965 0.85 RARA (0.31) —
SCHEMBL10237930 0.85 NPC1 (0.34) —
SCHEMBL10238088 0.85 DCK (0.32) BRD4
SCHEMBL10238017 0.85 ALDH1A1 (0.41) —
SCHEMBL10238083 0.84 KDM4E (0.32) —
SCHEMBL10238024 0.83 ALOX5 (0.41) —
SCHEMBL10238096 0.83 NPC1 (0.40) NISCH

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-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC BRD4 555/4885CDKN1A 1286/4885IKBKB 3762/4885

“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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