SCHEMBL1833879

SCHEMBL1833879

Cc1c(N)cccc1Cn1nc(C(F)(F)C(F)(F)F)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
KCNH2 Q12809 2/20 0.34
ESR1 P03372 1/20 0.34
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
GRM5 P41594 1/20 0.33
JAK2 O60674 1/20 0.33
SLC2A1 P11166 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL1832926 0.89 NR1H3 (0.40) KCNH2ESR1NR1H2NR1H3MAPT
SCHEMBL2161264 0.85 ESR1 (0.32) KCNH2ESR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1835592 0.83 MEN1 (0.34) KCNH2ESR1NR1H2NR1H3ALDH1A1
SCHEMBL2161767 0.80 CYP1A2 (0.39) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL1854580 0.78 AVPR2 (0.34) KCNH2ESR1MAPTALDH1A1POLB
SCHEMBL1829077 0.77 JAK2 (0.35) SIGMAR1KCNH2ESR1NR1H2NR1H3
SCHEMBL12402747 0.76 ESR1 (0.37) KCNH2ESR1NR1H2NR1H3ALDH1A1
SCHEMBL2161395 0.75 KDM4E (0.35) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1834507 0.75 ESR1 (0.36) KCNH2ESR1NR1H2NR1H3ALDH1A1
SCHEMBL1828499 0.74 SMN1; SMN2 (0.53) MAPTSMN1; SMN2ALDH1A1LMNAPOLB

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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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 (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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 SIGMAR1 3828/4885HEXA 2393/4885HEXB 1862/4885

“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.