SCHEMBL16401049

SCHEMBL16401049

CN1N=C2c3ccc(/C=N/SNC(=O)Nc4c(Cl)cccc4Cl)cc3CCC2C1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 6/20 0.37
SMURF2 Q9HAU4 3/20 0.35
SMURF1 Q9HCE7 3/20 0.35
LMNA P02545 1/20 0.34
NR3C2 P08235 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL16401340 0.93 NPC1 (0.39) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL19315732 0.84 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16401052 0.84 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16401050 0.84 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16409697 0.78 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16400289 0.77 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16401342 0.77 LMNA (0.42) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16401341 0.77 LMNA (0.42) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16400155 0.75 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16401266 0.74 SMURF2 (0.40) MAPTSMURF2SMURF1

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
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US claimed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US claimed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP claimed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO claimed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 KDM4E 3731/4885ALDH1A1 2336/4885NPC1 928/4885

“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.