SCHEMBL2161395

SCHEMBL2161395

Cc1c(N)cccc1Cn1nc(C(F)(F)C(F)(F)F)nc1Cn1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 1/20 0.34
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIA2 P42262 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1833493 0.86 KDM4E (0.44) KDM4EL3MBTL1ADORA2AHPGDMEN1
SCHEMBL1831398 0.80 ESR1 (0.35) KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1833879 0.75 SIGMAR1 (0.36) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1832926 0.73 NR1H3 (0.40) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12402747 0.71 ESR1 (0.37) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL2161767 0.71 CYP1A2 (0.39) KDM4EL3MBTL1HPGDMEN1KMT2A
SCHEMBL1854580 0.71 AVPR2 (0.34) MEN1KMT2AALDH1A1
SCHEMBL1834507 0.70 ESR1 (0.36) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1835592 0.70 MEN1 (0.34) KDM4EL3MBTL1HPGDMEN1KMT2A
SCHEMBL2161264 0.70 ESR1 (0.32) L3MBTL1SMN1; SMN2ALDH1A1

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 217/4885ADORA2A 3815/4885

“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.