SCHEMBL2887947

SCHEMBL2887947

Cc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1N=C1OC(=O)c2c(I)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
TRPC3 Q13507 3/20 0.37
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
ORAI1 Q96D31 3/20 0.34
TRPC5 Q9UL62 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F10 P00742 1/20 0.31
TRPC1 P48995 1/20 0.31
STIM1 Q13586 1/20 0.31
PTGES O14684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2887946 1.00 TP53 (0.37) TP53TRPC3PTGS2PTGS1ORAI1
SCHEMBL2891940 0.83 GRIA2 (0.37) MAPTALDH1A1HPGD
SCHEMBL2891937 0.83 GRIA2 (0.37) MAPTALDH1A1HPGD
SCHEMBL2889412 0.76 TP53 (0.41) TP53TRPC3PTGS2PTGS1ORAI1
SCHEMBL5484613 0.75
SCHEMBL5484609 0.75
SCHEMBL5905907 0.73 PPARD (0.35) TP53
SCHEMBL5905908 0.73 PPARD (0.35) TP53
SCHEMBL2889552 0.73 GRIA2 (0.37) MAPTALDH1A1HPGD
SCHEMBL2889551 0.73 GRIA2 (0.37) MAPTALDH1A1HPGD

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 3 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

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 TP53 3565/4885TRPC3 2181/4885PTGS2 1930/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT TP53 4654/4885TRPC3 1643/4885PTGS2 1426/4885

“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.