SCHEMBL290689

SCHEMBL290689

CN(C(=O)OCc1ccc([N+](=O)[O-])o1)c1cnc(-c2cncc(F)c2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PPARG P37231 1/20 0.32
LMNA P02545 1/20 0.32
CASP6 P55212 1/20 0.31
MEN1 O00255 2/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACHE P22303 1/20 0.30
TNF P01375 1/20 0.30
CRHBP P24387 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
SCHEMBL14852910 0.86 ALDH1A1 (0.35) THRBLMNAMEN1NPC1RAB9A
SCHEMBL15047334 0.84
SCHEMBL290098 0.79 CDC7 (0.40) LMNA
SCHEMBL17589920 0.75 LMNA (0.30) LMNA
SCHEMBL13047640 0.75 ABL1 (0.30)
SCHEMBL290931 0.75 ABL1 (0.31)
SCHEMBL13048000 0.73 PAX8 (0.37) ALDH1A1
SCHEMBL13074524 0.72 HCAR2 (0.37) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL290377 0.69 CYP11B2 (0.35)
SCHEMBL13047439 0.69 PIK3CG (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2604267-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-02-03 EP disclosed
EP-2604268-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
EP-2427191-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-03-14 EP disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 THRA 1310/4885THRB 518/4885PPARG 2473/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 THRA 1310/4885THRB 518/4885PPARG 2473/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 THRA 1310/4885THRB 518/4885PPARG 2473/4885

“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.