SCHEMBL13361966

SCHEMBL13361966

Cc1cc(C(C)n2nc(C(F)(F)C(F)(F)F)nc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
PDE2A O00408 4/20 0.31
HTT P42858 2/20 0.31
CES2 O00748 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 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
SCHEMBL13361965 0.92 POLB (0.33) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL2161267 0.78 HPGD (0.42) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL1836419 0.75 DCTPP1 (0.35) POLBGAAMAPTALDH1A1HPGD
SCHEMBL1834907 0.75 MAPT (0.36) POLBGAAMAPTALDH1A1TSHR
SCHEMBL2889605 0.73 MAPT (0.37) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL2162123 0.72 PDE2A (0.31) ALDH1A1TSHRPDE2ACYP3A4NPC1
SCHEMBL1833287 0.72 HPGD (0.34) POLBGAAMAPTALDH1A1HPGD
SCHEMBL1832733 0.72 POLB (0.33) POLBGAAMAPTALDH1A1HPGD
SCHEMBL1837878 0.71 HPGD (0.42) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL1834867 0.71 NPC1 (0.41) POLBGAAMAPTALDH1A1KDM4E

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
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP 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 (1 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 POLB 4359/4885GAA 3327/4885MAPT 4020/4885

“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.