SCHEMBL2889601

SCHEMBL2889601

Cc1cc(Cc2nnc(C(F)(F)F)o2)ccc1N=C1OC(=O)c2c(Cl)cccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
APLNR P35414 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2889600 1.00 PTGER1 (0.33) PTGER1POLBKDM4ESMN1; SMN2CHRM5
SCHEMBL2891753 0.83 HDAC6 (0.40) KDM4ENPC1RAB9AALDH1A1
SCHEMBL2891748 0.83 HDAC6 (0.40) KDM4ENPC1RAB9AALDH1A1
SCHEMBL551210 0.82 CHRM5 (0.38) POLBCHRM5CHRM3MAPTKMT2A
SCHEMBL10181981 0.82 CHRM5 (0.38) POLBCHRM5CHRM3MAPTKMT2A
SCHEMBL550894 0.79 CHRM5 (0.30) CHRM5CHRM3
SCHEMBL550749 0.78
SCHEMBL2890057 0.77
SCHEMBL2890056 0.77
SCHEMBL2892277 0.76 GRM1 (0.44) SMN1; SMN2CHRM5CHRM3

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 PTGER1 3358/4885POLB 4359/4885KDM4E 1692/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT PTGER1 2146/4885POLB 4401/4885KDM4E 560/4885

“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.