SCHEMBL1160649

SCHEMBL1160649

Cc1sc(-c2ccc(Cl)cc2)nc1C1C(=O)CC(CC2CCOCC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 0.36
▸ PDE1B Q01064 2/20 0.36
▸ PDE1C Q14123 2/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ APEX1 P27695 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ PPARD Q03181 1/20 0.31

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
SCHEMBL11963683 0.92 PPARA (0.34) PDE1APDE1BPDE1CHRH3PPARG
SCHEMBL11963681 0.90 HRH3 (0.39) PDE1APDE1BPDE1CHRH3PPARG
SCHEMBL11963673 0.82 GRM5 (0.38) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL9287104 0.80 PDE1A (0.34) PDE1APDE1BPDE1CPPARARAB9A
SCHEMBL1159680 0.79 PRKDC (0.36) PPARGPPARAMAPTPOLBALDH1A1
SCHEMBL12239272 0.79 KDM1A (0.35) PDE1APDE1BPDE1CALDH1A1
SCHEMBL11963701 0.77 HRH3 (0.39) HRH3PPARGPPARAGAAMAPT
SCHEMBL1160374 0.76 RAB9A (0.43) HRH3GAAMAPTKMT2ARAB9A
SCHEMBL1160501 0.75 HRH3 (0.38) HRH3PPARGPPARAGAAMAPT
SCHEMBL12239376 0.73 BRD4 (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 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 PDE1A 3457/4885PDE1B 2789/4885PDE1C 2247/4885

“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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