SCHEMBL1835904

SCHEMBL1835904

Cc1cc(Cn2nc(C(F)(F)F)nc2-c2ncc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FGFR4 P22455 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX7 Q99572 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
SCHEMBL1836860 0.93 ALDH1A1 (0.33) KLKB1LMNANPSR1GAAALDH1A1
SCHEMBL1837534 0.92 FGFR4 (0.43) LMNANPSR1GAAALDH1A1FGFR4
SCHEMBL27818218 0.87 MAPT (0.36) LMNANPSR1ALDH1A1HTTNPC1
SCHEMBL1842218 0.86 SLC5A2 (0.37) KLKB1LMNANPSR1GAAALDH1A1
SCHEMBL1831366 0.85 FGFR4 (0.41) LMNANPSR1GAAALDH1A1FGFR4
SCHEMBL1831823 0.83 LMNA (0.41) LMNANPSR1GAAALDH1A1HTT
SCHEMBL1831264 0.82 DCTPP1 (0.36) LMNAGAAALDH1A1HTTHPGD
SCHEMBL1832339 0.81 HPGD (0.36) LMNAGAAALDH1A1HTTSMN1; SMN2
SCHEMBL1833080 0.79 HPGD (0.34) LMNAGAAALDH1A1HTTHPGD
SCHEMBL2161440 0.79 CYP19A1 (0.38) LMNANPSR1GAAALDH1A1FGFR4

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 KLKB1 4858/4885LMNA 1928/4885NPSR1 2948/4885

“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.