SCHEMBL2889412

SCHEMBL2889412

Cc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1N1C(=O)c2cccc(I)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
TRPC3 Q13507 3/20 0.39
ORAI1 Q96D31 3/20 0.38
TRPC5 Q9UL62 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
GRM1 Q13255 4/20 0.36
GRM4 Q14833 4/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.35
TYMS P04818 1/20 0.34
TRPC1 P48995 1/20 0.34
STIM1 Q13586 1/20 0.34

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
SCHEMBL2884049 0.93 TP53 (0.36) TP53TRPC3ORAI1TRPC5PTGS1
SCHEMBL2884293 0.91 GRM1 (0.37) GRM1GRM4LMNASMN1; SMN2TYMS
SCHEMBL2884223 0.91 PTGS1 (0.37) PTGS1PTGS2GRM1GRM4LMNA
SCHEMBL2892164 0.88 TP53 (0.39) TP53TRPC3ORAI1TRPC5PTGS1
SCHEMBL2887621 0.88 GRM1 (0.46) TP53TRPC3ORAI1TRPC5PTGS1
SCHEMBL2883863 0.83 MAPT (0.38) GRM1GRM4MAPTLMNASMN1; SMN2
SCHEMBL1835277 0.82 GRIA2 (0.39) GRM1GRM4LMNASMN1; SMN2
SCHEMBL2887951 0.80 GRM1 (0.36) GRM1GRM4LMNASMN1; SMN2TYMS
SCHEMBL5716818 0.79 F10 (0.34) GRM1GRM4
SCHEMBL2884079 0.78 GRM1 (0.35) GRM1GRM4LMNASMN1; SMN2TYMS

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 TP53 3565/4885TRPC3 2181/4885ORAI1 3747/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT TP53 4654/4885TRPC3 1643/4885ORAI1 2206/4885

“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.