SCHEMBL3211447

SCHEMBL3211447

CCc1c(N)cccc1C(=O)Nc1c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
P2RX1 P51575 2/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNJ11 Q14654 1/20 0.36
CHRNA7 P36544 1/20 0.35

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
SCHEMBL1844639 0.84 PTGS1 (0.44) PTGS1P2RX1POLBKDM4EHSD17B10
SCHEMBL2006679 0.83 PTGS1 (0.43) PTGS1P2RX1POLBKDM4EHSD17B10
SCHEMBL14849974 0.81 MAPT (0.44) PTGS1P2RX1POLBKDM4EHSD17B10
SCHEMBL14850213 0.81 ALDH1A1 (0.42) PTGS1P2RX1KDM4EHSD17B10NPC1
SCHEMBL15429520 0.78 POLB (0.48) P2RX1POLBKDM4EHSD17B10NPC1
SCHEMBL12440038 0.77 PTGS1 (0.43) PTGS1P2RX1POLBKDM4EHSD17B10
SCHEMBL31175820 0.77 PTGS1 (0.40) PTGS1P2RX1POLBKDM4EHSD17B10
SCHEMBL15429518 0.77 POLB (0.47) P2RX1POLBNPC1SMN1; SMN2MAPT
SCHEMBL27785087 0.76 MEN1 (0.50) POLBKDM4EHSD17B10NPC1RAB9A
SCHEMBL3211432 0.76 JAK2 (0.49) P2RX1POLBMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2044006-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-08 EP disclosed
WO-2008000438-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-03 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-20100048715-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 PTGS1 405/4885P2RX1 344/4885POLB 4520/4885
US-20130184343-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 PTGS1 394/4885P2RX1 341/4885POLB 4511/4885

“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.