SCHEMBL1834427

SCHEMBL1834427

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
DUSP3 P51452 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
F11 P03951 2/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 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
SCHEMBL1835191 0.91 CYP19A1 (0.35) NPSR1SMN1; SMN2RAB9AL3MBTL1KMT2A
SCHEMBL1831920 0.89 MEN1 (0.35) SMN1; SMN2KMT2AMAPTALDH1A1GAA
SCHEMBL12402686 0.87 MEN1 (0.34) SMN1; SMN2RAB9ADUSP3L3MBTL1KMT2A
SCHEMBL1833864 0.85 KCNH2 (0.34) NR1I3SMN1; SMN2RAB9ADUSP3L3MBTL1
SCHEMBL1834968 0.83 F11 (0.34) NPSR1SMN1; SMN2RAB9AMAPTPKM
SCHEMBL1836701 0.76 PDE4A (0.36) SMN1; SMN2RAB9AMAPTALDH1A1GAA
SCHEMBL1831823 0.75 LMNA (0.41) NPSR1SMN1; SMN2RAB9AL3MBTL1KMT2A
SCHEMBL1832735 0.73 F11 (0.33) F11KCNH2
SCHEMBL2891612 0.73 KLKB1 (0.39) SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL12402690 0.71 F11 (0.32) F11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN disclosed
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
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 NR1I3 1260/4885NPSR1 2948/4885SMN1; 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.