SCHEMBL6676733

SCHEMBL6676733

Nc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
PTGS1 P23219 5/20 0.45
PTGS2 P35354 5/20 0.45
NR3C2 P08235 1/20 0.45
MAT2A P31153 2/20 0.43
TGFBR1 P36897 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDPK1 O15530 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL12982900 0.88 PDPK1 (0.44) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL29397663 0.84 MAPK14 (0.43) RXRANR1H2NR1H3KDM4ETRPV1
SCHEMBL1011502 0.84 MAPK14 (0.43) RXRANR1H2NR1H3KDM4ETRPV1
SCHEMBL2257225 0.83 RXRA (0.46) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL15478703 0.83 RXRA (0.51) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL12982781 0.82 RXRA (0.42) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL3308089 0.81 ALDH1A1 (0.55) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL2257122 0.81 RXRA (0.50) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL12911850 0.81 RXRA (0.53) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL4434557 0.81 RXRA (0.53) RXRANR1H2NR1H3PTGS1PTGS2

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-20040235959-A1 Insecticidal diamides E. I. DU PONT DE NEMOURS AND COMPANY 2004-11-25 US disclosed
EP-1427705-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-06-16 EP disclosed
US-20040063738-A1 Substituted heterocyclic phthalic acid diamide arthropodicides E.I. DU PONT DE NEMOURS AND COMPANY 2004-04-01 US disclosed
WO-2003026415-A2 INSECTICIDAL DIAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-03 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-20040063738-A1 Substituted heterocyclic phthalic acid diamide arthropodicides DDT, QDPR, DDX6 RXRA 1630/4885NR1H2 4270/4885NR1H3 4602/4885
US-20040235959-A1 Insecticidal diamides DDT, NRDC, NOXO1 RXRA 1059/4885NR1H2 801/4885NR1H3 1302/4885

“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.