SCHEMBL924910

SCHEMBL924910

COC(=O)c1cc(Br)c(=O)n(C2CCCC(c3ccccc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPK10 P53779 4/20 0.42
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRIN2B Q13224 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL924163 0.94 KDM4E (0.48) KDM4EGAATSHRPOLBALDH1A1
SCHEMBL923799 0.88 KMO (0.39)
SCHEMBL925293 0.82 SMN1; SMN2 (0.53) KDM4EGAATSHRPOLBALDH1A1
SCHEMBL924580 0.81 AKR1C3 (0.40) KDM4EALDH1A1
SCHEMBL924577 0.72 SLC18A3 (0.40) KDM4EGAAALDH1A1CYP2D6HSD17B10
SCHEMBL4966506 0.70 CHRNA7 (0.42) KDM4EGAATSHRPOLBHSD17B10
SCHEMBL1883282 0.69 ALDH1A1 (0.75) KDM4EGAATSHRPOLBALDH1A1
SCHEMBL926212 0.69 HSD17B10 (0.43) KDM4EGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL924486 0.66 ALDH1A1 (0.45) KDM4EGAATSHRALDH1A1SMN1; SMN2
SCHEMBL926925 0.66 POLB (0.47) GAATSHRPOLBALDH1A1SMN1; SMN2

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 KDM4E 1391/4885GAA 44/4885TSHR 4409/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KDM4E 1391/4885GAA 44/4885TSHR 4409/4885

“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.