SCHEMBL1669772

SCHEMBL1669772

O=C(NN=Cc1cc(I)c(O)c(I)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.67
MEN1 O00255 11/20 0.67
MAPT P10636 4/20 0.67
KDM4E B2RXH2 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
AGTR1 P30556 2/20 0.67
OPRK1 P41145 2/20 0.67
HSP90AA1 P07900 1/20 0.67
LMNA P02545 2/20 0.66
MAPK1 P28482 1/20 0.66
NPC1 O15118 1/20 0.66
POLB P06746 2/20 0.63
GAA P10253 2/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL1669769 1.00 KMT2A (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3632548 0.90 KMT2A (0.69) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3632543 0.90 KMT2A (0.69) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3626414 0.89 KMT2A (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3626413 0.89 KMT2A (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL1669484 0.81 KMT2A (0.65) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL1669485 0.81 KMT2A (0.65) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3633107 0.81 MEN1 (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3633102 0.81 MEN1 (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3633314 0.80 KDM4E (0.69) KMT2AMEN1MAPTKDM4ESMN1; SMN2

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 KMT2A 4121/4885MEN1 976/4885MAPT 4663/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 KMT2A 4688/4885MEN1 2759/4885MAPT 4853/4885

“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.