SCHEMBL1160635

SCHEMBL1160635

COC1=C(c2nc(-c3ccc(Cl)cc3)sc2C)C(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.44
▸ POLB P06746 3/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HRH3 Q9Y5N1 5/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL1160559 0.85 PTGDR2 (0.47) PTGDR2KMT2AMEN1HRH3ALOX5
SCHEMBL1160395 0.75 L3MBTL1 (0.37) POLBKMT2AMEN1LMNARAB9A
SCHEMBL1160583 0.74 MAPT (0.37) POLBKMT2ARAB9AKDM4ENPC1
SCHEMBL13710177 0.73 APEX1 (0.40) APEX1POLBKMT2ALMNAHRH3
SCHEMBL13710221 0.72 APEX1 (0.44) APEX1POLBPTGDR2KMT2AMEN1
SCHEMBL1160707 0.72 APEX1 (0.35) APEX1POLBPTGDR2KMT2AMEN1
SCHEMBL13710244 0.71 LMNA (0.46) APEX1POLBPTGDR2KMT2AMEN1
SCHEMBL13710236 0.71 WRN (0.47) APEX1POLBKMT2ALMNARAB9A
SCHEMBL16398857 0.69 ACACB (0.47) TP53MAPT
SCHEMBL13710167 0.69 APEX1 (0.41) APEX1POLBKMT2ALMNAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 — — EP disclosed
EP-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 — — EP disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
EP-2459547-A1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF Syngenta Limited (GB) 2012-06-06 — — EP disclosed
WO-2011012862-A1 HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2011-02-03 — — WO disclosed
WO-2011012862-A1 HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2011-02-03 — — 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-20120202691-A1 NOVEL HERBICIDES DDT, HCN1, HDHD5 APEX1 4218/4885POLB 4387/4885PTGDR2 2952/4885

“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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