SCHEMBL1228636

SCHEMBL1228636

O=Cc1ccc(-c2cnn(-c3ccc(OC(F)(F)F)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.45
SCN5A Q14524 9/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MELK Q14680 2/20 0.40
MAP4K4 O95819 1/20 0.40
DRD1 P21728 1/20 0.39
MAPK1 P28482 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
RXRA P19793 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37

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
SCHEMBL15104662 0.85 RXRA (0.41) SCN5AKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL182400 0.81 MAPKAPK2 (0.56) MAPKAPK2MELKMAP4K4
SCHEMBL505301 0.80 DRD1 (0.56) SCN5AALDH1A1DRD1
SCHEMBL8630160 0.80 MELK (0.65) MAPKAPK2MELK
SCHEMBL29266901 0.79 ABL1 (0.51) MAPKAPK2MELKRXRAGRIN1GRIN2B
SCHEMBL1229201 0.77 SCN5A (0.44) SCN5ADRD1SCN1ASCN2A
SCHEMBL716281 0.77 KDM4E (0.39) SCN5AKDM4EALDH1A1SMN1; SMN2DRD1
SCHEMBL23968014 0.77 MELK (0.45) MAPKAPK2SCN5AMELKRXRAGRIN1
SCHEMBL1230329 0.75 PIP4K2A (0.51) SCN5ADRD1
SCHEMBL97114 0.75 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
EP-2461687-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
WO-2011017504-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2011017504-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-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 MAPKAPK2 3370/4885SCN5A 3053/4885KDM4E 2354/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE MAPKAPK2 4659/4885SCN5A 2695/4885KDM4E 553/4885

“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.