SCHEMBL608580

SCHEMBL608580

Cc1[se]c(-c2ccc(Cl)cc2)nc1C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.36
▸ ACHE P22303 3/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PSD A5PKW4 2/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
SCHEMBL10237934 0.74 RAB9A (0.40) SLC6A3ACHEHRH3KDM4EMEN1
SCHEMBL10238101 0.74 TARBP2 (0.41) SLC6A3KDM4EMEN1POLBMAPT
SCHEMBL10238098 0.73 NPC1 (0.39) SLC6A3ACHEHRH2HRH3MCHR1
SCHEMBL10238015 0.71 ALDH1A1 (0.40) SLC6A3ACHEHRH3MAPK1KDM4E
SCHEMBL10238001 0.69 ALDH1A1 (0.39) SLC6A3ACHEHRH3KDM4EMEN1
SCHEMBL10237969 0.69 SMN1; SMN2 (0.46) SLC6A3KDM4EMEN1POLBGAA
SCHEMBL16215992 0.69 HRH3 (0.41) SLC6A3HRH3KDM4EMEN1POLB
SCHEMBL608047 0.69 HRH3 (0.41) SLC6A3HRH3KDM4EMEN1POLB
SCHEMBL10237937 0.69 HRH3 (0.41) SLC6A3HRH3KDM4EMEN1POLB
SCHEMBL10237932 0.67 PIK3CA (0.37) ACHEPIK3CAKDM4EMEN1MAPT

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-8598365-B2 Herbicides SYNGENTA LIMITED (GB) 2013-12-03 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
EP-2176222-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-21 — — EP 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 SLC6A3 858/4885ACHE 120/4885HRH2 2192/4885

“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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