Sugi Predict

Sugi Predict / Compounds / SCHEMBL2889552

SCHEMBL2889552

SCHEMBL2889552

Cc1cc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)ccc1N=C1OC(=O)c2c(Cl)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 1/20 0.37
▸ CHRM5 P08912 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ NCOR2 Q9Y618 2/20 0.32
▸ AVPR2 P30518 1/20 0.31
▸ AVPR1A P37288 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL2889551 1.00 GRIA2 (0.37) GRIA2CHRM5CHRM3HDAC3HDAC4
SCHEMBL2892552 0.90 AVPR2 (0.32) CHRM5CHRM3AVPR2AVPR1A
SCHEMBL2892551 0.90 AVPR2 (0.32) CHRM5CHRM3AVPR2AVPR1A
SCHEMBL2891940 0.90 GRIA2 (0.37) GRIA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2891937 0.90 GRIA2 (0.37) GRIA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2883877 0.88 CHRM5 (0.30) CHRM5CHRM3
SCHEMBL2883876 0.88 CHRM5 (0.30) CHRM5CHRM3
SCHEMBL2884325 0.84 CHRM5 (0.34) CHRM5CHRM3
SCHEMBL2884323 0.84 CHRM5 (0.34) CHRM5CHRM3
SCHEMBL2891939 0.78 KLKB1 (0.33) CHRM5CHRM3

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 4 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
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 — — EP 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 GRIA2 4434/4885CHRM5 146/4885CHRM3 143/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT GRIA2 4212/4885CHRM5 14/4885CHRM3 6/4885

“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.