SCHEMBL1259308

SCHEMBL1259308

N#Cc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.46
TRPA1 O75762 1/20 0.46
SCN9A Q15858 1/20 0.46
FNTB P49356 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
HRH1 P35367 1/20 0.44
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
KDM1A O60341 2/20 0.42
FNTA P49354 2/20 0.41
PGGT1B P53609 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NLRP3 Q96P20 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
TDP2 O95551 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL1259273 0.86 SCN5A (0.40) SCN5ATRPA1SCN9AFNTBSIGMAR1
SCHEMBL10664108 0.85 NPC1 (0.53) NPC1RAB9ANLRP3GAA
SCHEMBL1259307 0.83 MAPT (0.47) SCN5AMAOBMAOANPC1RAB9A
SCHEMBL1260302 0.83 KIF11 (0.55) MAOBNPC1RAB9ANLRP3
SCHEMBL1230313 0.81 MAOA (0.43) SCN5AMAOBMAOANPC1RAB9A
SCHEMBL1261437 0.79 MAP4K4 (0.51) NPC1RAB9ANLRP3
SCHEMBL11952853 0.79 MMP3 (0.51) NPC1RAB9ANLRP3CA12CA2
SCHEMBL10670239 0.79 NPC1 (0.66) MAOBMAOANPC1RAB9ANLRP3
SCHEMBL4549454 0.78 NPC1 (0.65) NPC1RAB9ANLRP3MAPTKDM4E
SCHEMBL10316090 0.78 NPC1 (0.56) MAOBNPC1RAB9ANLRP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
WO-2011017513-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-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC SCN5A 2452/4885TRPA1 804/4885SCN9A 2177/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 SCN5A 3053/4885TRPA1 518/4885SCN9A 1109/4885

“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.