SCHEMBL2884277

SCHEMBL2884277

Cc1cc(Sc2nc(C(F)(F)F)nn2C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.41
ALDH1A1 P00352 2/20 0.36
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TYMS P04818 1/20 0.30

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
SCHEMBL2884329 0.79 ALDH1A1 (0.48) GCKALDH1A1CYP3A4TSHRMEN1
SCHEMBL273206 0.69 CYP3A4 (0.54) GCKALDH1A1CYP3A4TSHRTDP1
SCHEMBL1832049 0.67 SKP2 (0.36) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL6092950 0.66 ALOX15 (0.31) HTT
SCHEMBL1834850 0.66 KDM4E (0.39) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL2162123 0.65 PDE2A (0.31) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL4157946 0.65 ALDH1A1 (0.52) ALDH1A1HTTCYP3A4TSHRTDP1
SCHEMBL1836406 0.64 ADORA3 (0.39) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL21614023 0.64 NR1H2 (0.45) ALDH1A1HTTTDP1MEN1NPC1
SCHEMBL1832384 0.63 ADORA3 (0.38) ALDH1A1CYP3A4TSHRTDP1MEN1

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 GCK 552/4885ALDH1A1 1137/4885PSEN1 658/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT GCK 418/4885ALDH1A1 2697/4885PSEN1 719/4885

“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.