SCHEMBL3462701

SCHEMBL3462701

O=C(O)Nc1ccc(C=Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
EPHX2 P34913 2/20 0.59
CYP1A2 P05177 1/20 0.56
HDAC3 O15379 1/20 0.56
ADAM17 P78536 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
TGM2 P21980 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
KIF11 P52732 1/20 0.51

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
SCHEMBL3462699 1.00 MAOB (0.61) MAOBEPHX2CYP1A2HDAC3ADAM17
SCHEMBL935645 0.89 EPHX2 (0.73) EPHX2TGM2NPC1RAB9AKIF11
SCHEMBL23895482 0.87 MAOB (0.58) MAOBEPHX2CYP1A2HDAC3ADAM17
SCHEMBL28908447 0.87 MAOB (0.58) MAOBEPHX2CYP1A2HDAC3ADAM17
Hydrochloric Acid SCHEMBL11408619 0.83 RAD51 (0.55) MAOBHDAC1NPC1RAB9AALDH1A1
SCHEMBL13247208 0.80 RAD51 (0.61) MAOBHDAC1NPC1RAB9AALDH1A1
SCHEMBL15603135 0.79 EPHX2 (0.59) EPHX2TGM2NPC1RAB9AKIF11
SCHEMBL15603136 0.79 EPHX2 (0.59) EPHX2TGM2NPC1RAB9AKIF11
SCHEMBL17664265 0.79 EPHX2 (0.64) MAOBEPHX2CYP1A2HDAC3ADAM17
SCHEMBL28129932 0.78 MAOB (0.76) MAOBHDAC3ADAM17HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396338-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-03-26 EP disclosed
US-8394774-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-03-12 US disclosed
EP-2396338-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2011-12-21 EP disclosed
WO-2010093764-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-08-19 WO disclosed
US-20100204165-A1 Pesticidal Compositions DOW AGROSCIENCES LLC (US) 2010-08-12 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 (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-20100204165-A1 Pesticidal Compositions ACHE, DDT, PTMS MAOB 1022/4885EPHX2 224/4885CYP1A2 557/4885

“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.