SCHEMBL2743908

SCHEMBL2743908

O=C(O)Nc1ccc(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
PRNP P04156 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
TRPV1 Q8NER1 6/20 0.55
SMO Q99835 2/20 0.52
ADORA3 P0DMS8 1/20 0.48
KIF11 P52732 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
EPHX2 P34913 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TDO2 P48775 1/20 0.45
IGF1R P08069 1/20 0.45
PSEN1 P49768 1/20 0.44

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
SCHEMBL4898700 0.83 SRD5A2 (0.54) KDM4EMEN1PRNPPOLBGAA
SCHEMBL4895565 0.83 SRD5A2 (0.54) KDM4EMEN1PRNPPOLBGAA
SCHEMBL28267570 0.83 MEN1 (0.54) KDM4EMEN1PRNPPOLBGAA
SCHEMBL28486201 0.80 KMT2A (0.55) KDM4EMEN1POLBKMT2AKIF11
SCHEMBL2743607 0.79 MEN1 (0.64) KDM4EMEN1PRNPPOLBGAA
SCHEMBL24174770 0.79 TRPV1 (0.65) TRPV1NPC1RAB9ATDO2
SCHEMBL31396428 0.79 TRPV1 (0.65) TRPV1NPC1RAB9ATDO2
SCHEMBL935645 0.78 EPHX2 (0.73) MEN1KMT2ATRPV1KIF11NPC1
SCHEMBL11711704 0.76 LMNA (0.63) KDM4ENPC1RAB9A
SCHEMBL1259604 0.76 KIF11 (0.56) MEN1KMT2AKIF11NPC1RAB9A

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
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 US 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP KDM4E 706/4885MEN1 4826/4885PRNP 846/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 1172/4885MEN1 3349/4885PRNP 2063/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 1172/4885MEN1 3349/4885PRNP 2063/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 1172/4885MEN1 3349/4885PRNP 2063/4885

“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.