SCHEMBL1836701

SCHEMBL1836701

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(-c3ccccc3)n2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
AGTR2 P50052 3/20 0.36
LMNA P02545 4/20 0.33
F11 P03951 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
KLKB1 P03952 4/20 0.32
KLK1 P06870 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL1833864 0.91 KCNH2 (0.34) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1832735 0.90 F11 (0.33) PDE4APDE4BPDE4CPDE4DAGTR2
SCHEMBL12402690 0.87 F11 (0.32) F11
SCHEMBL1835191 0.84 CYP19A1 (0.35) LMNAF11ALDH1A1NPC1RAB9A
SCHEMBL1832987 0.83 KLKB1 (0.35) PDE4APDE4BPDE4CPDE4DAGTR2
SCHEMBL2161978 0.78 SKP2 (0.38) PDE4APDE4BPDE4CPDE4DAGTR2
SCHEMBL1834427 0.76 NR1I3 (0.37) LMNAF11ALDH1A1NPC1RAB9A
SCHEMBL1831920 0.75 MEN1 (0.35) F11ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2161327 0.72 NR1I3 (0.36) LMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL2161700 0.72 GPR55 (0.41) LMNAALDH1A1KDM4EADORA2AADORA1

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
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 PDE4A 2149/4885PDE4B 1678/4885PDE4C 1550/4885

“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.