SCHEMBL290359

SCHEMBL290359

CSc1nc(-c2cccnc2)sc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
CYP19A1 P11511 2/20 0.41
AXL P30530 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2B6 P20813 1/20 0.40
PTGS2 P35354 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL2121915 0.82 CYP3A4 (0.56) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL11629769 0.82 CYP2A6 (0.48) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL290197 0.80 CYP2A6 (0.51) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL14852915 0.77 CYP3A4 (0.50) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL11385950 0.77 CYP2A6 (0.46) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL290103 0.76 KDM4E (0.50) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL13047329 0.76 CYP3A4 (0.45) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL13075061 0.73 CYP3A4 (0.47) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL11385026 0.71 ALDH1A1 (0.48) CYP2A6CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL1458965 0.69 CHRNB2 (0.51) CYP2A6CYP3A4CYP1A2CYP2C19LMNA

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 23 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
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS 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
CN-105017240-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-11-04 CN disclosed
EP-2604268-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed
CN-102458403-B Insecticidal composition DOW AGROSCIENCES LLC 2015-06-03 CN disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
EP-2614825-A1 Process for the preparation of thiazole derivatives Dow AgroSciences LLC (US) 2013-07-17 EP disclosed
EP-2604268-A1 Process for the preparation of thiazole derivatives Dow AgroSciences LLC (US) 2013-06-19 EP disclosed
EP-2604267-A1 Process for the preparation of thiazole derivatives Dow AgroSciences LLC (US) 2013-06-19 EP 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-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
CN-102458403-A insecticidal composition DOW AGROSCIENCES LLC 2012-05-16 CN 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
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 (4 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 CYP2A6 1553/4885CYP3A4 1402/4885CYP1A2 327/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP2A6 1553/4885CYP3A4 1402/4885CYP1A2 327/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP2A6 1553/4885CYP3A4 1402/4885CYP1A2 327/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP2A6 1553/4885CYP3A4 1402/4885CYP1A2 327/4885

“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.