SCHEMBL1260302

SCHEMBL1260302

N#Cc1ccc(-n2cnc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NLRP3 Q96P20 1/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
MAOB P27338 1/20 0.42
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 1/20 0.40
MAP4K4 O95819 1/20 0.40
P2RY14 Q15391 1/20 0.40
CYP19A1 P11511 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
AURKA O14965 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39

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
SCHEMBL10664108 0.89 NPC1 (0.53) NPC1RAB9ANLRP3GRM5MAP4K4
SCHEMBL1259273 0.85 SCN5A (0.40) KIF11NPC1RAB9ANLRP3GRM5
SCHEMBL1259308 0.83 SCN5A (0.46) NPC1RAB9ANLRP3MAOB
SCHEMBL11952853 0.82 MMP3 (0.51) NPC1RAB9ANLRP3GRM5MAP4K4
SCHEMBL10670239 0.82 NPC1 (0.66) NPC1RAB9ANLRP3MAOBGRM5
SCHEMBL1259287 0.82 KIF11 (0.51) KIF11NPC1RAB9ANLRP3TLR2
SCHEMBL2743492 0.82 KIF11 (0.51) KIF11NPC1RAB9ANLRP3TLR2
SCHEMBL4549454 0.81 NPC1 (0.65) NPC1RAB9ANLRP3GRM5MAP4K4
SCHEMBL10316090 0.81 NPC1 (0.56) NPC1RAB9ANLRP3MAOBGRM5
SCHEMBL17082477 0.80 NPC1 (0.44) KIF11NPC1RAB9ANLRP3TLR2

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 13 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-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
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-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-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 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
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 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 KIF11 3273/4885NPC1 2246/4885RAB9A 769/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 KIF11 3343/4885NPC1 3584/4885RAB9A 487/4885

“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.