SCHEMBL1153537

SCHEMBL1153537

COc1ccc(C(Cc2ccc(Br)cc2)C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
ALDH1A1 P00352 3/20 0.56
LDHA P00338 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
FPR2 P25090 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL21959555 0.92 ESR1 (0.67) ESR1ESR2ALDH1A1LDHARAB9A
SCHEMBL28067587 0.90 ALDH1A1 (0.57) ESR1ESR2ALDH1A1LDHAPOLB
SCHEMBL1153337 0.88 LDHA (0.59) ESR1ESR2ALDH1A1LDHAPOLB
SCHEMBL1154248 0.86 ALDH1A1 (0.53) ESR1ESR2ALDH1A1LDHAPOLB
SCHEMBL13243493 0.85 PPARG (0.57) ESR1ESR2ALDH1A1LDHAKMT2A
SCHEMBL1152868 0.82 FAAH (0.51) ESR1ESR2ALDH1A1LDHAPOLB
SCHEMBL18165316 0.82 ESR1 (0.61) ESR1ESR2POLBKMT2AMEN1
SCHEMBL18481327 0.82 ESR1 (0.61) ESR1ESR2POLBKMT2AMEN1
SCHEMBL27639581 0.81 LDHA (0.61) ESR1ESR2LDHACYP1A2CYP2D6
SCHEMBL13305527 0.80 ALDH1A1 (0.53) ALDH1A1LDHAPOLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257167-B1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2015-07-22 EP disclosed
US-8492387-B2 2-aminoimidazole beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-07-23 US disclosed
US-20110034483-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Via EFS 2011-02-10 US disclosed
EP-2257167-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009108550-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-09-03 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 (1 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-20110034483-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE2, BACE1, APH1B ESR1 3092/4885ESR2 1527/4885ALDH1A1 768/4885

“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.