SCHEMBL2889812

SCHEMBL2889812

Cc1cc(-n2nc(C(F)(F)C(F)(F)F)cc2C(F)(F)F)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPC3 Q13507 3/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 3/20 0.38
RAD52 P43351 2/20 0.38
ORAI1 Q96D31 3/20 0.37
TRPC5 Q9UL62 1/20 0.37
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
TRPC1 P48995 1/20 0.33
STIM1 Q13586 1/20 0.33

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
SCHEMBL1834334 0.90 KDM4E (0.51) KDM4EL3MBTL1TRPC3TP53MAPT
SCHEMBL2892026 0.83 ALDH1A1 (0.49) KDM4EL3MBTL1TRPC3MAPTRAD52
SCHEMBL2891803 0.79 HPGD (0.43) TRPC3TP53MAPTORAI1TRPC5
SCHEMBL2892005 0.77 STIM1 (0.44) KDM4EL3MBTL1MAPTRAD52ORAI1
SCHEMBL2161565 0.75 GRIA2 (0.41) KDM4EL3MBTL1MAPTRAD52MEN1
SCHEMBL2887965 0.75 KDM4E (0.39) KDM4EMAPTRAD52MEN1KMT2A
SCHEMBL2884387 0.75 MAPT (0.39) KDM4EMAPTRAD52MEN1KMT2A
SCHEMBL2889650 0.71 SKP2 (0.36) KDM4EMAPTRAD52MEN1KMT2A
SCHEMBL3277337 0.70 PTGS2 (0.55) KDM4EL3MBTL1TRPC3TP53MAPT
SCHEMBL14198876 0.70 TRPC3 (0.69) TRPC3TP53MAPTORAI1TRPC5

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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 KDM4E 1692/4885L3MBTL1 361/4885TRPC3 2181/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT KDM4E 560/4885L3MBTL1 518/4885TRPC3 1643/4885

“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.