SCHEMBL13054967

SCHEMBL13054967

CN1C(=N)N[C@](C)(c2ccc(F)c(F)c2)[C@H](c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.32
BACE1 P56817 1/20 0.31
PDE2A O00408 1/20 0.31
AR P10275 1/20 0.30
MOGAT2 Q3SYC2 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
SCHEMBL7541540 1.00 MEN1 (0.35) MEN1KMT2AESR1BACE1PDE2A
SCHEMBL7578339 0.93 BACE1 (0.30) BACE1
SCHEMBL13054304 0.93 BACE1 (0.30) BACE1
SCHEMBL14105367 0.91 MEN1 (0.34) MEN1KMT2AESR1BACE1AR
SCHEMBL13081820 0.91 MEN1 (0.34) MEN1KMT2AESR1
SCHEMBL7566880 0.91 ABCC9 (0.35) MEN1KMT2AESR1
SCHEMBL13054594 0.91 ABCC9 (0.35) MEN1KMT2AESR1
SCHEMBL13054170 0.88 AR (0.37) MEN1KMT2AAR
SCHEMBL7572424 0.88 AR (0.37) MEN1KMT2AAR
SCHEMBL13054488 0.88 MEN1 (0.37) MEN1KMT2AESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 MEN1 1192/4885KMT2A 4458/4885ESR1 1530/4885

“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.