SCHEMBL2889570

SCHEMBL2889570

Cc1cc(-n2ccc(C(F)(F)C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.38
TSHR P16473 3/20 0.38
SIRT6 Q8N6T7 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
AR P10275 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL2889347 0.78 HPGD (0.44) HPGDMAPTTSHRSIRT6ALDH1A1
SCHEMBL1827389 0.76 HPGD (0.48) HPGDMAPTTSHRSIRT6ALDH1A1
SCHEMBL1837562 0.73 HPGD (0.45) HPGDMAPTTSHRSIRT6ALDH1A1
SCHEMBL7325260 0.72 HPGD (0.46) HPGDMAPTTSHRSIRT6ALDH1A1
SCHEMBL2161334 0.72 HPGD (0.43) HPGDMAPTTSHRSIRT6AR
SCHEMBL1837878 0.71 HPGD (0.42) HPGDMAPTTSHRSIRT6ALDH1A1
SCHEMBL7311809 0.70 HPGD (0.56) HPGDMAPTTSHRALDH1A1KDM4E
SCHEMBL29910964 0.70 MAPT (0.50) HPGDMAPTTSHRALDH1A1KDM4E
SCHEMBL6690245 0.70 MAPT (0.50) HPGDMAPTTSHRALDH1A1KDM4E
SCHEMBL2891803 0.69 HPGD (0.43) HPGDMAPTTSHRSIRT6AR

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 6 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
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO 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 HPGD 1285/4885MAPT 4020/4885TSHR 1924/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT HPGD 1979/4885MAPT 3425/4885TSHR 1289/4885

“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.