SCHEMBL18579331

SCHEMBL18579331

O=[N+]([O-])c1ccc(/C=C/c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS1 P23219 2/20 0.38
PGR P06401 1/20 0.38
TLR9 Q9NR96 1/20 0.37
HTT P42858 1/20 0.36
FBP1 P09467 2/20 0.36
PSD A5PKW4 1/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
CYP19A1 P11511 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
SCHEMBL18579333 1.00 PTGS2 (0.43) PTGS2MAPTNPC1RAB9APTGS1
SCHEMBL18579351 0.90 PTGS2 (0.37) PTGS2MAPTNPC1RAB9APTGS1
SCHEMBL18579349 0.90 PTGS2 (0.37) PTGS2MAPTNPC1RAB9APTGS1
SCHEMBL28614902 0.88 MAPT (0.41) PTGS2MAPTNPC1RAB9AHTT
SCHEMBL18591561 0.88 MAPT (0.41) PTGS2MAPTNPC1RAB9AHTT
SCHEMBL28614901 0.83 SERPINE1 (0.35) PTGS2MAPTPGRTLR9HTT
SCHEMBL18579736 0.83 KDM4E (0.36) MAPTAPPCYP2D6CYP19A1
SCHEMBL18618157 0.83 RXRA (0.40) PTGS2MAPT
SCHEMBL18579738 0.83 KDM4E (0.36) MAPTAPPCYP2D6CYP19A1
SCHEMBL18579237 0.82 MEN1 (0.43) MAPTNPC1RAB9ATLR9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed
EP-3344339-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2018-07-11 EP disclosed
US-9661854-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 US disclosed
US-9661854-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
WO-2017040742-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 WO disclosed
WO-2017040742-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 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 (1 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-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD PTGS2 606/4885MAPT 3431/4885NPC1 3361/4885

“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.