SCHEMBL1835191

SCHEMBL1835191

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(-c3ccccc3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F11 P03951 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1834427 0.91 NR1I3 (0.37) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1831920 0.90 MEN1 (0.35) CYP19A1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12402686 0.88 MEN1 (0.34) CYP19A1ALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL1834968 0.85 F11 (0.34) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1836701 0.84 PDE4A (0.36) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1833864 0.76 KCNH2 (0.34) LMNAALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL1832735 0.75 F11 (0.33) F11
SCHEMBL12402690 0.73 F11 (0.32) F11
SCHEMBL13335219 0.72 KLKB1 (0.38) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2891971 0.72 KLKB1 (0.37) LMNASMN1; SMN2MEN1KMT2AMAPT

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 CYP19A1 270/4885LMNA 1928/4885ALDH1A1 928/4885

“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.