SCHEMBL5660737

SCHEMBL5660737

CCOC(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.45
FFAR1 O14842 2/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
CYP1A2 P05177 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 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
SCHEMBL14526628 0.86 LMNA (0.44) MEN1KMT2ALMNANPC1TP53
SCHEMBL5659791 0.80 PPARA (0.59)
SCHEMBL1857696 0.80 PPARA (0.59)
SCHEMBL5660778 0.80 PPARA (0.41) LMNAFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL13643086 0.78 KMT2A (0.53) MEN1KMT2ALMNANPC1TP53
SCHEMBL28611322 0.77 MEN1 (0.47) MEN1KMT2ALMNANPC1TP53
SCHEMBL27547145 0.76 CYP2C19 (0.49) MEN1KMT2ALMNANPC1TP53
SCHEMBL6442985 0.76 MAPT (0.49) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL28756030 0.76 MEN1 (0.46) MEN1KMT2ALMNANPC1TP53
SCHEMBL762549 0.75 LOXL2 (0.50) MEN1KMT2ALMNANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 MEN1 2604/4885KMT2A 3018/4885LMNA 2939/4885

“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.