SCHEMBL1160395

SCHEMBL1160395

COC1=C(c2nc(-c3ccc(Cl)cc3)ncc2C)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL1160635 0.75 APEX1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9717383 0.74 ADORA3 (0.45) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL16398857 0.71 ACACB (0.47) TDP2MAPTMAP2K1
SCHEMBL9106301 0.71 MDM4 (0.34) ALDH1A1HPGDMAPK1CYP1A2CYP3A4
SCHEMBL1160559 0.70 PTGDR2 (0.47) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL10238236 0.67 SLC6A3 (0.35) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL1160646 0.67 NPC1 (0.42) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL2763495 0.67 NPC1 (0.45) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL1160583 0.66 MAPT (0.37) KMT2ANPC1RAB9ARXFP1ALDH1A1
SCHEMBL16398123 0.64 ERN1 (0.41) RAB9AALDH1A1POLBKDM4ETHRB

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
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 L3MBTL1 907/4885MEN1 2425/4885KMT2A 344/4885

“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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