SCHEMBL3626413

SCHEMBL3626413

O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.67
MEN1 O00255 9/20 0.67
MAPT P10636 6/20 0.67
KDM4E B2RXH2 5/20 0.67
HTT P42858 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
AGTR1 P30556 3/20 0.67
OPRK1 P41145 3/20 0.67
HSP90AA1 P07900 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
LMNA P02545 3/20 0.66
MAPK1 P28482 1/20 0.66
NPC1 O15118 1/20 0.66
POLB P06746 2/20 0.63
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 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
SCHEMBL3626414 1.00 KMT2A (0.67) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL3633314 0.92 KDM4E (0.69) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL3633319 0.92 KDM4E (0.69) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL3633102 0.90 MEN1 (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3633107 0.90 MEN1 (0.67) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL3632543 0.90 KMT2A (0.69) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL3632548 0.90 KMT2A (0.69) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL1669485 0.89 KMT2A (0.65) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL1669484 0.89 KMT2A (0.65) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL1669772 0.89 KMT2A (0.67) KMT2AMEN1MAPTKDM4EHTT

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 11 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
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 (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-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.