SCHEMBL926658

SCHEMBL926658

COC(=O)c1cc(-n2cccn2)c(=O)n(C2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.38
HRH3 Q9Y5N1 2/20 0.37
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 2/20 0.35
TYK2 P29597 1/20 0.35
USP2 O75604 1/20 0.35
MAPK10 P53779 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL924396 0.86 LMNA (0.39) ALDH1A1MAPTHRH3POLBGAA
SCHEMBL925284 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ATMNPSR1MAPT
SCHEMBL925293 0.74 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2ATMNPSR1MAPT
SCHEMBL924486 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ATMNPSR1MAPT
SCHEMBL926925 0.72 POLB (0.47) ALDH1A1SMN1; SMN2ATMNPSR1POLB
SCHEMBL925273 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ATMNPSR1POLB
SCHEMBL925968 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ATMNPSR1MAPT
SCHEMBL26000144 0.70 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ATMNPSR1CYP1A2
SCHEMBL24554592 0.70 MAPT (0.49) ALDH1A1NPSR1MAPTGAACYP1A2
SCHEMBL923800 0.68 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ATMNPSR1MAPT

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
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
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (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 2087/4885SMN1; SMN2 1434/4885ATM 3452/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ALDH1A1 2087/4885SMN1; SMN2 1434/4885ATM 3452/4885

“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.