SCHEMBL17494865

SCHEMBL17494865

CNc1c([N+](=O)[O-])cc(C(F)(F)F)n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 3/20 0.35
MAPK1 P28482 3/20 0.35
ALOX12 P18054 2/20 0.35

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
SCHEMBL17494918 0.82 CYP3A4 (0.35) LMNAKDM4EMAPTNPSR1HTT
SCHEMBL18357557 0.80 MAPT (0.38) LMNAKDM4EMAPTNPSR1HTT
SCHEMBL22779514 0.74 RAB9A (0.33) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL9952302 0.73 ALDH1A1 (0.59) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL29934119 0.71 POLB (0.33) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL17494931 0.71 LMNA (0.42) LMNAKDM4EMAPTNPSR1HTT
SCHEMBL5774586 0.67 NCOA1 (0.41) LMNAKDM4EMAPTNPSR1HTT
SCHEMBL4017052 0.67 ALDH1A1 (0.51) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL9952880 0.67 ALDH1A1 (0.60) LMNAKDM4EMAPTNPSR1MEN1
SCHEMBL3284881 0.67 LMNA (0.44) LMNAMAPTHTTKMT2AALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180341-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-27 EP disclosed
CN-107735396-B Pesticidally active polycyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2021-03-02 CN disclosed
CN-107531704-B Pesticidally active polycyclic derivatives with sulfur-substituted five-membered ring heterocycles 先正达参股股份有限公司 2021-01-01 CN disclosed
EP-3317276-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-16 EP disclosed
EP-3377489-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-10-07 EP disclosed
EP-3377489-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-10-07 EP disclosed
CN-111646989-A Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-09-11 CN disclosed
US-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-18 US disclosed
US-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-18 US disclosed
US-10730872-B2 Pesticidally active heterocyclic derivatives with sulphur containing sustitutents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-04 US disclosed
US-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-17 US disclosed
US-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-17 US disclosed
EP-3180341-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-06-21 EP disclosed
WO-2017001314-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 WO disclosed
WO-2017001314-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 WO disclosed
WO-2016169882-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-27 WO disclosed
WO-2016169882-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-27 WO disclosed
WO-2016142326-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 WO disclosed
WO-2016023954-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-18 WO disclosed
WO-2016023954-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-18 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 (3 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-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 LMNA 4417/4885KDM4E 2839/4885MAPT 797/4885
US-10730872-B2 Pesticidally active heterocyclic derivatives with sulphur containing sustitutents TST, DDT, SULT1A1 LMNA 4573/4885KDM4E 3181/4885MAPT 233/4885
US-10745396-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE LMNA 4369/4885KDM4E 3255/4885MAPT 531/4885

“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.