SCHEMBL609497

SCHEMBL609497

CCc1sc(-c2ccc(Cl)cc2)nc1C1=C(OC(=O)C(C)(C)C)C2CCC(C2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ GAA P10253 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
SCHEMBL10238180 0.88 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13058563 0.83 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10238204 0.83 RAB9A (0.40) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10238200 0.82 PTGDR2 (0.33) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10238226 0.81 GLA (0.37) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10238185 0.80 TRPM8 (0.42) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10238250 0.80 RARA (0.35) HRH3
SCHEMBL10238245 0.80 RAB9A (0.42) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL10238182 0.79 SLC6A3 (0.37) KDM4EHRH3KMT2ASLC6A3
SCHEMBL10238248 0.78 RARA (0.33) —

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
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-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
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
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 PTGDR2 2242/4885KDM4E 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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