SCHEMBL3624710

SCHEMBL3624710

O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cc2ccccc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.74
FTO Q9C0B1 1/20 0.74
ECE2 P0DPD6 2/20 0.69
ECE1 P42892 2/20 0.69
MUS81 Q96NY9 2/20 0.69
DNM1 Q05193 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
AR P10275 2/20 0.66
PGR P06401 1/20 0.65
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
BLM P54132 1/20 0.56
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
MAP4K4 O95819 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
SCHEMBL1669454 1.00 SIRT1 (0.74) SIRT1FTOECE2ECE1MUS81
SCHEMBL4570234 0.88 DNM1 (0.78) SIRT1FTOECE2ECE1MUS81
SCHEMBL4570238 0.85 AR (0.75) SIRT1FTOECE2ECE1MUS81
SCHEMBL6635439 0.85 L3MBTL1 (0.82) SIRT1FTOECE2ECE1MUS81
SCHEMBL8925781 0.85 L3MBTL1 (0.82) SIRT1FTOECE2ECE1MUS81
SCHEMBL5149469 0.85 L3MBTL1 (0.82) SIRT1FTOECE2ECE1MUS81
SCHEMBL12486367 0.85 ECE2 (0.69) SIRT1FTOECE2ECE1MUS81
SCHEMBL12486366 0.85 ECE2 (0.69) SIRT1FTOECE2ECE1MUS81
SCHEMBL17327817 0.83 ECE2 (0.70) SIRT1FTOECE2ECE1MUS81
SCHEMBL17327760 0.83 L3MBTL1 (0.79) SIRT1FTOECE2ECE1MUS81

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 8 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-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-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
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 3435/4885FTO 4517/4885ECE2 2302/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 SIRT1 3890/4885FTO 4676/4885ECE2 1543/4885

“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.