SCHEMBL925273

SCHEMBL925273

COC(=O)c1cc(C#N)c(=O)n(C2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ATM Q13315 1/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NUAK1 O60285 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL924196 0.84 ALDH1A1 (0.54) ALDH1A1LMNAHTTKDM4EMEN1
SCHEMBL925293 0.80 SMN1; SMN2 (0.53) ALDH1A1KDM4EPOLBKMT2AGAA
SCHEMBL924486 0.79 ALDH1A1 (0.45) ALDH1A1HTTKDM4EHPGDGAA
SCHEMBL925284 0.77 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EMEN1POLB
SCHEMBL925968 0.77 ALDH1A1 (0.43) ALDH1A1HTTKDM4EMEN1HPGD
SCHEMBL23163157 0.76 KDM4E (0.48) ALDH1A1KDM4EPOLBKMT2AGLA
SCHEMBL923800 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHTTKDM4EMEN1
SCHEMBL26000144 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31275144 0.74 GAA (0.39) ALDH1A1LMNAHTTKDM4EMEN1
SCHEMBL1980880 0.73 ALDH1A1 (0.55) ALDH1A1LMNAHTTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 2087/4885LMNA 757/4885HTT 1774/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ALDH1A1 2087/4885LMNA 757/4885HTT 1774/4885

“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.