SCHEMBL9106301

SCHEMBL9106301

COC1=C(c2nc(-c3ccc(Cl)cc3)ncc2C)C(=O)C(C(O)C2CCOCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ CYP1A2 P05177 5/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ CASP1 P29466 3/20 0.32
▸ CASP7 P55210 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ MTOR P42345 4/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL1160757 0.78 PTGDR2 (0.38) MDM4MDM2CYP1A2ALDH1A1CYP2C9
SCHEMBL1160564 0.76 MDM4 (0.36) MDM4MDM2CYP2D6ACHE
SCHEMBL1160395 0.71 L3MBTL1 (0.37) CYP1A2ALDH1A1CYP2C9CASP1CASP7
SCHEMBL14993571 0.70 ACHE (0.32) ACHE
SCHEMBL12239200 0.70 ACHE (0.32) ACHE
SCHEMBL12239435 0.67 PDE4A (0.32) ACHE
SCHEMBL10238236 0.64 SLC6A3 (0.35) CYP1A2ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL9717383 0.63 ADORA3 (0.45) CYP1A2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL1160545 0.63 APEX1 (0.37) ALDH1A1
SCHEMBL10238239 0.61 PPARD (0.32) CYP1A2ALDH1A1CYP2C9CYP2C19PPARD

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 10 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

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 MDM4 2208/4885MDM2 1002/4885CYP1A2 45/4885

“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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