SCHEMBL1833864

SCHEMBL1833864

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(-c3ccc(Cl)cc3)n2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
DUSP3 P51452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I3 Q14994 1/20 0.33
RIPK1 Q13546 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
F11 P03951 3/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
BRD4 O60885 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
EP300 Q09472 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
SCHEMBL1836701 0.91 PDE4A (0.36) SMN1; SMN2RAB9AMAPTF11PDE4A
SCHEMBL1832735 0.88 F11 (0.33) KCNH2F11PDE4APDE4BPDE4C
SCHEMBL12402690 0.85 F11 (0.32) F11
SCHEMBL1834427 0.85 NR1I3 (0.37) KCNH2SMN1; SMN2RAB9ADUSP3L3MBTL1
SCHEMBL1832987 0.82 KLKB1 (0.35) F11PDE4APDE4BPDE4CPDE4D
SCHEMBL2161978 0.76 SKP2 (0.38) RAB9AKMT2AMEN1MAPTPDE4A
SCHEMBL1835191 0.76 CYP19A1 (0.35) SMN1; SMN2RAB9AL3MBTL1KMT2AMEN1
SCHEMBL1831920 0.73 MEN1 (0.35) SMN1; SMN2KMT2AMEN1MAPTF11
SCHEMBL2161327 0.73 NR1I3 (0.36) KCNH2SMN1; SMN2RAB9ADUSP3L3MBTL1
SCHEMBL12402686 0.71 MEN1 (0.34) SMN1; SMN2RAB9ADUSP3L3MBTL1KMT2A

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
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
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 KCNH2 84/4885SMN1; SMN2 3421/4885RAB9A 405/4885

“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.