SCHEMBL1669671

SCHEMBL1669671

O=C(COc1cccc2ccccc12)NN=Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
KDM4E B2RXH2 6/20 0.68
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
POLB P06746 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
BLM P54132 3/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.53
LMNA P02545 3/20 0.52
PAX8 Q06710 1/20 0.52
OGG1 O15527 1/20 0.51
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL1669669 1.00 MAPT (0.68) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL1669924 0.89 MAPT (0.54) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL4902314 0.89 MAPT (0.54) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL1669953 0.84 MAPT (0.56) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL1669952 0.84 MAPT (0.56) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL1669428 0.83 MAPT (0.49) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL1669430 0.83 MAPT (0.49) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL3633028 0.81 TRPM5 (0.62) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL3633031 0.81 TRPM5 (0.62) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL12648526 0.79 MAPT (0.66) MAPTKDM4EKMT2AMEN1POLB

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 10 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-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
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 MAPT 4663/4885KDM4E 4732/4885KMT2A 4121/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MAPT 4853/4885KDM4E 4323/4885KMT2A 4688/4885

“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.