SCHEMBL925293

SCHEMBL925293

COC(=O)c1cc(Br)c(=O)n(C2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.47
MAPK10 P53779 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL926212 0.82 HSD17B10 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL924486 0.82 ALDH1A1 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL924910 0.82 KDM4E (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL925284 0.80 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL925273 0.80 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL925968 0.80 ALDH1A1 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL924163 0.79 KDM4E (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL26000144 0.78 ALDH1A1 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL34469917 0.78 ALDH1A1 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL22923890 0.77 CNR2 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6

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 SMN1; SMN2 1434/4885CYP1A2 2045/4885CYP2C9 3151/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SMN1; SMN2 1434/4885CYP1A2 2045/4885CYP2C9 3151/4885

“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.