SCHEMBL2161999

SCHEMBL2161999

CCC(c1ccc(N)c(C)c1)n1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 6/20 0.33
S100B P04271 1/20 0.33
ESR1 P03372 1/20 0.30
AR P10275 1/20 0.30
ESR2 Q92731 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
SCHEMBL1832883 0.84 KDM4E (0.39) KDM4EL3MBTL1PDE2A
SCHEMBL12467329 0.80 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL2161351 0.80 L3MBTL1 (0.36) KDM4EL3MBTL1
SCHEMBL12402806 0.71 KDM4E (0.36) KDM4EL3MBTL1
SCHEMBL1834334 0.70 KDM4E (0.51) KDM4EL3MBTL1
SCHEMBL1831039 0.69 GRIA2 (0.47) KDM4EL3MBTL1
SCHEMBL2796935 0.69 MAPT (0.39) KDM4E
SCHEMBL2884274 0.68 PRMT6 (0.37) KDM4ES100B
SCHEMBL1843882 0.68 SKP2 (0.42) KDM4EL3MBTL1S100B
SCHEMBL2887879 0.67 CYP3A4 (0.42)

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 1 patent. 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

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 KDM4E 346/4885L3MBTL1 217/4885PDE2A 1893/4885

“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.