SCHEMBL9974256

SCHEMBL9974256

Cn1nc(C(F)(F)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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
SCHEMBL3441151 0.90 PKM (0.33) PKMKMT2AKDM4EGRNSORT1
SCHEMBL12887762 0.89 PKM (0.40) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL2611106 0.85 PKM (0.45) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL10221896 0.82 KDM4E (0.47) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL16642354 0.78 BAZ2B (0.35) ALDH1A1KDM4EGRNSORT1
SCHEMBL8932305 0.76 KDM4E (0.34) NPC1ALDH1A1RAB9AKDM4EGRN
SCHEMBL17493311 0.76 KMT2A (0.34) KMT2AKDM4EGRNSORT1
SCHEMBL9607540 0.73 KDM4E (0.39) PKMNPC1ALDH1A1RAB9AKMT2A
SCHEMBL3436871 0.72 PKM (0.45) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL2611143 0.72 PKM (0.45) PKMNPC1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202877-B2 Aminopyrimidinamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-19 US disclosed
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
US-7884242-B2 N1-(6-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylpyridin-3-yl)-3-chloro-N2-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide; pesticide; nematocide BAYER CROPSCIENCE AG (DE) 2011-02-08 US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides BAYER CROPSCIENCE AG (DE) 2009-01-22 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 (3 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-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES DDT, NPEPPS, PTMS PKM 467/4885NPC1 4842/4885ALDH1A1 2780/4885
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents NPEPPS, DDT, DNPEP PKM 508/4885NPC1 4786/4885ALDH1A1 3415/4885
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides DDT, NQO2, NIT2 PKM 2479/4885NPC1 3027/4885ALDH1A1 1352/4885

“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.