SCHEMBL6005075

SCHEMBL6005075

C=CC[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PNMT P11086 1/20 0.42
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PSMB5 P28074 1/20 0.41
IDO1 P14902 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
FDFT1 P37268 1/20 0.40
FPR2 P25090 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6005266 1.00 KMO (0.48) KMOMEN1KMT2APNMTGRIK1
SCHEMBL9781682 0.85 KMO (0.56) KMOMEN1KMT2APNMTIDO1
SCHEMBL17497191 0.83 PPARG (0.48) KMT2AGRIK1GRIK2PPARGPPARA
SCHEMBL8301284 0.83 PPARG (0.48) KMT2AGRIK1GRIK2PPARGPPARA
SCHEMBL4619729 0.80 KMO (0.51) KMOMEN1KMT2APNMTGRIK1
SCHEMBL6005368 0.79 KMO (0.48) KMOMEN1KMT2APNMTSLC6A2
SCHEMBL629350 0.77 CYP1A2 (0.68) CYP1A2
SCHEMBL9007628 0.77 CYP1A2 (0.68) CYP1A2
SCHEMBL252900 0.77 CYP1A2 (0.68) CYP1A2
SCHEMBL6005350 0.77 PNMT (0.51) KMOMEN1KMT2APNMTFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP KMO 2275/4885MEN1 3871/4885KMT2A 3113/4885

“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.