SCHEMBL1831920

SCHEMBL1831920

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F11 P03951 2/20 0.33
CYP19A1 P11511 2/20 0.31
TGM2 P21980 1/20 0.31
SLC29A1 Q99808 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL12402686 0.96 MEN1 (0.34) MEN1KMT2ASMN1; SMN2GAAKDM4E
SCHEMBL1835191 0.90 CYP19A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1F11
SCHEMBL1834427 0.89 NR1I3 (0.37) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1832735 0.85 F11 (0.33) F11
SCHEMBL1834968 0.84 F11 (0.34) SMN1; SMN2ALDH1A1F11MAPT
SCHEMBL12402690 0.81 F11 (0.32) F11
SCHEMBL1836701 0.75 PDE4A (0.36) SMN1; SMN2GAAKDM4EALDH1A1F11
SCHEMBL1833864 0.73 KCNH2 (0.34) MEN1KMT2ASMN1; SMN2ALDH1A1F11
SCHEMBL13335219 0.72 KLKB1 (0.38) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL2891971 0.71 KLKB1 (0.37) MEN1KMT2ASMN1; SMN2GAACYP1A2

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 5 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
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
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 MEN1 4180/4885KMT2A 657/4885SMN1; SMN2 3421/4885

“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.