SCHEMBL1160646

SCHEMBL1160646

Cc1cnc(-c2ccc(Cl)cc2)nc1C1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ MAP4K4 O95819 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ MAPT P10636 3/20 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
SCHEMBL10238098 0.82 NPC1 (0.39) NPC1RAB9ARXFP1MAP4K4PPARD
SCHEMBL607395 0.79 NPC1 (0.39) NPC1RAB9ARXFP1MAP4K4ALDH1A1
SCHEMBL13058552 0.79 NPC1 (0.39) NPC1RAB9ARXFP1MAP4K4PPARD
SCHEMBL11963696 0.77 NPC1 (0.32) NPC1RAB9ARXFP1
SCHEMBL9287104 0.76 PDE1A (0.34) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL13077786 0.74 NPC1 (0.36) NPC1RAB9ARXFP1MAP4K4ALDH1A1
SCHEMBL2763495 0.72 NPC1 (0.45) NPC1RAB9ARXFP1MAP4K4ALDH1A1
SCHEMBL9717383 0.71 ADORA3 (0.45) NPC1RAB9ARXFP1ALDH1A1MEN1
SCHEMBL1160374 0.70 RAB9A (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL13480190 0.69 MEN1 (0.47) NPC1RAB9ARXFP1MAP4K4ALDH1A1

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 NPC1 4342/4885RAB9A 3106/4885RXFP1 3308/4885

“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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