SCHEMBL13054594

SCHEMBL13054594

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.35
KCNJ11 Q14654 10/20 0.35
ABCC8 Q09428 9/20 0.35
KCNJ8 Q15842 9/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 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
SCHEMBL7566880 1.00 ABCC9 (0.35) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL13054725 0.93 ABCC9 (0.34) ABCC9KCNJ11ABCC8KCNJ8LMNA
SCHEMBL7566911 0.93 ABCC9 (0.34) ABCC9KCNJ11ABCC8KCNJ8LMNA
SCHEMBL13054967 0.91 MEN1 (0.35) MEN1KMT2AESR1
SCHEMBL7541540 0.91 MEN1 (0.35) MEN1KMT2AESR1
SCHEMBL7583487 0.88 ABCC9 (0.32) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL13081820 0.88 MEN1 (0.34) MEN1KMT2AESR1
SCHEMBL14105367 0.88 MEN1 (0.34) MEN1KMT2AESR1
SCHEMBL7572424 0.85 AR (0.37) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL13054170 0.85 AR (0.37) ABCC9KCNJ11ABCC8KCNJ8MEN1

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 2 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
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 ABCC9 2010/4885KCNJ11 4379/4885ABCC8 1959/4885

“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.