SCHEMBL10237998

SCHEMBL10237998

Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAP3K14 Q99558 5/20 0.36
▸ SLC6A4 P31645 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAB9A P51151 2/20 0.33

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
SCHEMBL10237969 0.86 SMN1; SMN2 (0.46) SLC6A3KDM4EALDH1A1MAPTPKM
SCHEMBL16215997 0.83 SLC6A3 (0.39) SLC6A3KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10237915 0.83 SLC6A3 (0.39) SLC6A3KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10237945 0.78 SLC6A3 (0.37) SLC6A3KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10237997 0.76 GRM2 (0.34) SLC6A3MAP3K14
SCHEMBL10237901 0.75 PDE3B (0.34) SLC6A3MAPTPDE3BPDE3AABL1
SCHEMBL10237917 0.75 DHODH (0.35) SLC6A3KDM4EMAPTPDE4BPDE4C
SCHEMBL16215977 0.74 CYP11B1 (0.34) SLC6A3PDE4APDE4BPDE4CPDE4D
SCHEMBL10237927 0.74 CYP11B1 (0.34) SLC6A3PDE4APDE4BPDE4CPDE4D
SCHEMBL10237940 0.72 PDE3B (0.34) KDM4EALDH1A1MAPTPDE3BPDE3A

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 5 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

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 SLC6A3 858/4885KDM4E 1609/4885ALDH1A1 294/4885

“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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