SCHEMBL8516042

SCHEMBL8516042

CCN1C(=O)[C@@H]2[C@@H](C(F)(F)F)OC[C@]2(c2cc([N+](=O)[O-])ccc2F)N=C1NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
THRB P10828 1/20 0.36
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
WDR5 P61964 1/20 0.33
POLB P06746 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8516035 1.00 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1HTTTHRB
SCHEMBL6919820 0.91 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1HTTTHRB
SCHEMBL8515730 0.87 BACE1 (0.38) BACE1BACE2
SCHEMBL991885 0.86 BACE1 (0.34) ALDH1A1GAAHTTBACE1BACE2
SCHEMBL990603 0.85 BACE2 (0.39) BACE1BACE2
SCHEMBL990489 0.84 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1HTTTHRB
SCHEMBL990487 0.84 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1HTTTHRB
SCHEMBL8516408 0.80 MAPT (0.40) ALDH1A1L3MBTL1BACE1BACE2MAPT
SCHEMBL8516412 0.80 MAPT (0.40) ALDH1A1L3MBTL1BACE1BACE2MAPT
SCHEMBL11900491 0.79 BACE1 (0.54) BACE1BACE2

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-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
EP-2456771-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP 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-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES BACE1, APP, BACE2 ALDH1A1 3122/4885GAA 485/4885L3MBTL1 713/4885

“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.