SCHEMBL2889793

SCHEMBL2889793

Cc1cc(-c2cc(C(F)(F)F)nn2C(F)F)ccc1N1C(=O)c2cccc(I)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ALOX5 P09917 1/20 0.35
TYMS P04818 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM4 Q14833 7/20 0.33
GRM1 Q13255 6/20 0.33
NR3C1 P04150 3/20 0.33
PGR P06401 3/20 0.33
NR3C2 P08235 3/20 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
SCHEMBL2883985 0.84 TYMS (0.36) TYMSLMNASMN1; SMN2GRM4GRM1
SCHEMBL2884223 0.77 PTGS1 (0.37) PTGS1PTGS2TYMSLMNASMN1; SMN2
SCHEMBL2889412 0.76 TP53 (0.41) PTGS1PTGS2TYMSLMNASMN1; SMN2
SCHEMBL2883863 0.75 MAPT (0.38) TYMSLMNASMN1; SMN2GRM4GRM1
SCHEMBL2889335 0.74 HTR7 (0.46) TYMSLMNASMN1; SMN2GRM4GRM1
SCHEMBL1835277 0.74 GRIA2 (0.39) LMNASMN1; SMN2GRM4GRM1
SCHEMBL2889814 0.74 LMNA (0.33) LMNASMN1; SMN2GRM4GRM1
SCHEMBL2889576 0.73 LMNA (0.33) LMNASMN1; SMN2GRM4GRM1
SCHEMBL2887591 0.72 LMNA (0.44) PTGS1TYMSLMNASMN1; SMN2GRM4
SCHEMBL2884136 0.72 LMNA (0.36) TYMSLMNASMN1; SMN2GRM4GRM1

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 PTGS1 1825/4885PTGS2 1930/4885ALOX5 1281/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT PTGS1 1155/4885PTGS2 1426/4885ALOX5 3509/4885

“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.