SCHEMBL2883847

SCHEMBL2883847

Cc1cc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
NCOR2 Q9Y618 2/20 0.41
PTGS2 P35354 8/20 0.39
PTGS1 P23219 6/20 0.39
PDPK1 O15530 5/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL2888062 0.80 HDAC3 (0.40) CYP3A4TSHRHDAC3HDAC4HDAC1
SCHEMBL2887879 0.77 CYP3A4 (0.42) CYP3A4TSHRALDH1A1TDP1HDAC3
SCHEMBL2161454 0.75 POLB (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12402161 0.73 HPGD (0.46) CYP3A4TSHRALDH1A1HDAC3HDAC4
SCHEMBL1831039 0.72 GRIA2 (0.47) TSHRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1593861 0.71 HDAC4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9966078 0.71 HDAC6 (0.59) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1843882 0.70 SKP2 (0.42) TSHRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL12402591 0.69 HDAC3 (0.37) TSHRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL18986024 0.69 PTGS2 (0.52) CYP3A4TSHRALDH1A1TDP1HDAC3

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 CYP3A4 111/4885TSHR 1924/4885ALDH1A1 1137/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT CYP3A4 30/4885TSHR 1289/4885ALDH1A1 2697/4885

“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.