SCHEMBL2889938

SCHEMBL2889938

Cc1cc(-c2noc(C(F)(F)F)n2)ccc1N1C(=O)c2cccc(Cl)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.46
HDAC1 Q13547 11/20 0.46
HDAC8 Q9BY41 9/20 0.46
HDAC5 Q9UQL6 3/20 0.46
GRM1 Q13255 6/20 0.45
GRM4 Q14833 6/20 0.45
HDAC4 P56524 3/20 0.41
GRM7 Q14831 1/20 0.40

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
SCHEMBL2889868 0.82 GRM1 (0.46) HDAC6GRM1GRM4GRM7
SCHEMBL2889319 0.81 GRM4 (0.43) GRM1GRM4GRM7
SCHEMBL2884529 0.76 GRM1 (0.44) HDAC6GRM1GRM4GRM7
SCHEMBL2889985 0.76 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL2889983 0.76 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL2889338 0.75 GRM4 (0.43) HDAC6GRM1GRM4GRM7
SCHEMBL5429466 0.74 GRM1 (0.51) GRM1GRM4GRM7
SCHEMBL2892277 0.74 GRM1 (0.44) GRM1GRM4GRM7
SCHEMBL4426589 0.72 LMNA (0.50) GRM1GRM4GRM7
SCHEMBL11621300 0.71 CYP3A4 (0.57) GRM1GRM4GRM7

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 HDAC6 354/4885HDAC1 413/4885HDAC8 1382/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT HDAC6 1906/4885HDAC1 893/4885HDAC8 1199/4885

“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.