SCHEMBL1260593

SCHEMBL1260593

O=C(S)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
LMNA P02545 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 3/20 0.42
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL2743576 0.91 ABCG2 (0.39) EPHX2LMNATRPV1MAPTSMN1; SMN2
SCHEMBL1259137 0.90 EPHX2 (0.47) EPHX2LMNATRPV1MAPTMEN1
SCHEMBL17454614 0.89 CHRNA7 (0.54) EPHX2LMNATRPV1MAPTMEN1
SCHEMBL14576668 0.89 EPHX2 (0.46) EPHX2LMNATRPV1MAPTMEN1
SCHEMBL11942755 0.88 MAPT (0.46) EPHX2LMNATRPV1MAPTMEN1
SCHEMBL17454764 0.87 EPHX2 (0.53) EPHX2LMNAMAPTMEN1KMT2A
SCHEMBL17471943 0.86 EPHX2 (0.52) EPHX2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1260594 0.85 MAPT (0.47) EPHX2LMNATRPV1MAPTMEN1
SCHEMBL14577099 0.85 MAPT (0.46) EPHX2LMNATRPV1MAPTMEN1
SCHEMBL11942673 0.85 TRPV1 (0.43) EPHX2LMNATRPV1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3171697-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-05-31 EP disclosed
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
WO-2016014664-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 WO disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 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-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC EPHX2 288/4885LMNA 2808/4885TRPV1 2104/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 EPHX2 267/4885LMNA 3489/4885TRPV1 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.