SCHEMBL1669357

SCHEMBL1669357

O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 6/20 0.74
DNM1 Q05193 1/20 0.67
ESR1 P03372 1/20 0.63
ESRRG P62508 1/20 0.63
ESR2 Q92731 1/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
IKBKB O14920 1/20 0.60
BLM P54132 1/20 0.59
POLB P06746 1/20 0.57
RAB9A P51151 2/20 0.57
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
PRKD3 O94806 1/20 0.56

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
SCHEMBL1669361 1.00 SIRT1 (0.74) SIRT1DNM1ESR1ESRRGESR2
SCHEMBL1669838 0.86 KMT2A (0.60) SIRT1DNM1ESR1ESRRGESR2
SCHEMBL1669841 0.86 KMT2A (0.60) SIRT1DNM1ESR1ESRRGESR2
SCHEMBL23752521 0.85 SIRT1 (1.00) SIRT1MEN1KMT2ASIRT2SIRT3
SCHEMBL23752522 0.85 SIRT1 (1.00) SIRT1MEN1KMT2ASIRT2SIRT3
SCHEMBL684788 0.84 SIRT1 (0.80) SIRT1DNM1MEN1KMT2ALMNA
SCHEMBL1563549 0.84 DNM1 (0.73) SIRT1DNM1ESR1ESRRGESR2
SCHEMBL1563547 0.84 DNM1 (0.73) SIRT1DNM1ESR1ESRRGESR2
SCHEMBL6636776 0.84 DNM1 (0.73) SIRT1DNM1ESR1ESRRGESR2
SCHEMBL1669410 0.83 POLB (0.79) SIRT1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP claimed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US claimed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-08-30 US disclosed
EP-2490696-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-08-29 EP disclosed
WO-2011048070-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-04-28 WO disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 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-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS CFTR, IAPP, GPR119 SIRT1 3435/4885DNM1 1482/4885ESR1 3778/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 SIRT1 3890/4885DNM1 553/4885ESR1 4367/4885

“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.