SCHEMBL2887879

SCHEMBL2887879

Cc1cc(-c2cc(C(F)(F)F)nn2C(F)F)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 13/20 0.41
PTGS1 P23219 10/20 0.41
ALOX5 P09917 2/20 0.41
PDPK1 O15530 3/20 0.38
CYP2C9 P11712 2/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
CA12 O43570 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL27661052 0.82 PRMT5 (0.39) PTGS2PTGS1ALOX5PDPK1
SCHEMBL2883847 0.77 CYP3A4 (0.41) CYP3A4TSHRALDH1A1TDP1PTGS2
SCHEMBL18986024 0.70 PTGS2 (0.52) CYP3A4TSHRALDH1A1TDP1PTGS2
SCHEMBL1832883 0.69 KDM4E (0.39) CYP3A4TSHRALDH1A1TDP1LMNA
SCHEMBL14879518 0.68 PTGS2 (0.50) ALDH1A1PTGS2PTGS1ALOX5HDAC3
SCHEMBL23956477 0.68 NOS3 (0.41) PTGS2PTGS1ALOX5CA2
SCHEMBL2161999 0.67 KDM4E (0.36)
SCHEMBL2884110 0.67 ALDH1A1 (0.44) CYP3A4TSHRALDH1A1TDP1ADORA3
SCHEMBL14747582 0.67 PTGS2 (0.67) CYP3A4TSHRPTGS2PTGS1ALOX5
SCHEMBL2892005 0.66 STIM1 (0.44) CYP3A4TSHRALDH1A1PTGS2PTGS1

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.