SCHEMBL536107

SCHEMBL536107

Cc1c2ccc(C(F)(F)F)nc2cc2c(=O)oc(-c3cc(C(F)(F)F)nn3-c3ncccc3Cl)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 1/20 0.34
▸ MAT2A P31153 5/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ C1R P00736 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXRA P19793 2/20 0.31
▸ NR1H2 P55055 2/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL2936337 0.92 PTGS2 (0.33) OPRL1MAT2APTGS2PTGS1C1R
SCHEMBL2936519 0.90 PTGS2 (0.34) MAT2APTGS2PTGS1C1RKDM4E
SCHEMBL30390038 0.89 MAT2A (0.35) OPRL1MAT2APTGS2PTGS1KDM4E
SCHEMBL25082877 0.89 MAT2A (0.35) OPRL1MAT2APTGS2PTGS1KDM4E
SCHEMBL2927349 0.87 RXRA (0.33) OPRL1MAT2APTGS2PTGS1C1R
SCHEMBL950464 0.85 C1R (0.42) C1RKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL12911905 0.85 KDM4E (0.35) OPRL1PTGS2PTGS1KDM4EL3MBTL1
SCHEMBL30466609 0.84 MAPT (0.35) OPRL1PTGS2PTGS1C1RKDM4E
SCHEMBL25235198 0.84 MAPT (0.35) OPRL1PTGS2PTGS1C1RKDM4E
SCHEMBL950884 0.84 KDM4E (0.34) OPRL1PTGS2PTGS1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 — — US disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 — — US disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 — — US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 — — US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 — — US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 — — US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 — — EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 — — US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 — — US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 — — US disclosed
EP-1919903-B1 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-01-27 — — EP disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 — — WO disclosed
EP-1919903-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES Syngeta Participations AG (CH) 2008-05-14 — — EP disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 — — WO disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 — — 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 (2 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-20090221587-A1 NOVEL INSECTICIDES DDT, CYP4F11, ACHE OPRL1 1556/4885MAT2A 853/4885PTGS2 3661/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 OPRL1 2398/4885MAT2A 3009/4885PTGS2 308/4885

“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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