SCHEMBL925042

SCHEMBL925042

O=C(O)C1CNc2cc(Br)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYSLTR1 Q9Y271 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.40
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAPDH P04406 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
MIF P14174 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL24377994 0.88 HPGD (0.45) HPGDKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL24378020 0.83 KMT2A (0.47) HPGDKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL15148439 0.82 KMT2A (0.68) HPGDKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL21819338 0.82 ADAMTS5 (0.52) HPGDKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL22397109 0.82 ADAMTS5 (0.52) HPGDKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL29447012 0.82 ADAMTS5 (0.52) HPGDKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL3353068 0.82 ADAMTS5 (0.52) HPGDKMT2ACYP2C9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL22617491 0.81 ADAMTS5 (0.51) HPGDKMT2ACYP2C9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL22617490 0.81 ADAMTS5 (0.51) HPGDKMT2ACYP2C9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11549430 0.81 KMT2A (0.67) HPGDKMT2ACYP2C9CYP1A2CYP3A4

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 HPGD 2249/4885KMT2A 3113/4885CYP2C9 3151/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HPGD 2249/4885KMT2A 3113/4885CYP2C9 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.