SCHEMBL166098

SCHEMBL166098

COC(=O)c1cccc(C(=O)N2CCCC2c2cccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
ROCK2 O75116 4/20 0.59
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.53
GPBAR1 Q8TDU6 3/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SCD O00767 1/20 0.48

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
SCHEMBL169074 0.89 ROCK2 (0.58) KDM4EALDH1A1ROCK2SCD
SCHEMBL166844 0.87 ALDH1A1 (0.65) KDM4EALDH1A1ROCK2KMT2ALMNA
SCHEMBL166794 0.87 ROCK2 (0.60) KDM4EALDH1A1ROCK2SCD
SCHEMBL12650377 0.81 LMNA (0.62) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL29423020 0.81 LMNA (0.62) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL17888397 0.80 ALDH1A1 (0.59) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL164337 0.79 ROCK2 (0.52) KDM4EALDH1A1ROCK2KMT2APRMT5
SCHEMBL5909347 0.78 ALDH1A1 (0.59) KDM4EALDH1A1LMNAGPBAR1PRMT5
SCHEMBL5300891 0.77 LMNA (0.67) KDM4EALDH1A1GAAKMT2AL3MBTL1
SCHEMBL21078063 0.77 ALDH1A1 (0.64) KDM4EALDH1A1GAAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 KDM4E 2480/4885ALDH1A1 756/4885ROCK2 1674/4885

“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.