SCHEMBL2889661

SCHEMBL2889661

Cc1cc(Sc2nc(C(F)(F)F)nn2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 0.42
GRM1 Q13255 11/20 0.42
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM7 Q14831 1/20 0.36
BRD1 O95696 2/20 0.35
TAF1 P21675 2/20 0.35
BRPF1 P55201 2/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
BRD4 O60885 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
SCHEMBL2889327 0.77 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2889325 0.77 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2889319 0.75 GRM4 (0.43) GRM4GRM1LMNASMN1; SMN2GRM7
SCHEMBL1837952 0.74 GRM1 (0.42) GRM4GRM1LMNASMN1; SMN2GRM7
SCHEMBL3327139 0.73 GRM1 (0.40) GRM4GRM1LMNASMN1; SMN2GRM7
SCHEMBL5429466 0.72 GRM1 (0.51) GRM4GRM1LMNASMN1; SMN2GRM7
SCHEMBL2884277 0.70 GCK (0.41)
SCHEMBL2887621 0.70 GRM1 (0.46) GRM4GRM1LMNASMN1; SMN2GRM7
SCHEMBL2889938 0.69 HDAC6 (0.46) GRM4GRM1GRM7
SCHEMBL11621300 0.69 CYP3A4 (0.57) GRM4GRM1LMNASMN1; SMN2GRM7

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 GRM4 3253/4885GRM1 1638/4885LMNA 1336/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT GRM4 3860/4885GRM1 1863/4885LMNA 1631/4885

“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.