SCHEMBL6006575

SCHEMBL6006575

O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
PTPRC P08575 1/20 0.45
PTPRG P23470 1/20 0.45
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PNMT P11086 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
FDFT1 P37268 1/20 0.39
PTPN1 P18031 1/20 0.39
GPR183 P32249 1/20 0.39
FPR2 P25090 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 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
SCHEMBL9109006 0.88 CYP2C9 (0.49) KMT2APPARGPPARAPNMTPTGS1
SCHEMBL6005718 0.86 FPR2 (0.51) KMT2APTPRGPPARGPPARAPNMT
SCHEMBL6003758 0.86 FPR2 (0.51) KMT2APTPRGPPARGPPARAPNMT
SCHEMBL6005310 0.86 FPR2 (0.51) KMT2APTPRGPPARGPPARAPNMT
SCHEMBL6005803 0.85 PPARA (0.50) PPARGPPARAPNMTPTGS1PTGS2
SCHEMBL5434743 0.84 PTGS1 (0.53) KMT2APPARGPPARAPTGS1PTGS2
SCHEMBL6004995 0.82 PNMT (0.41) KMT2APPARGPPARAPNMTPTPN1
SCHEMBL17664412 0.79 MEN1 (0.52) KMT2AFPR2
SCHEMBL5434749 0.79 KMT2A (0.44) KMT2AFPR2
SCHEMBL6005468 0.77 PPARG (0.43) PTPRCPTPRGPPARGPPARAPNMT

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 2 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

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 KMT2A 3113/4885PTPRC 4388/4885PTPRG 3362/4885

“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.