SCHEMBL3667153

SCHEMBL3667153

O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
CYP3A4 P08684 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
ATM Q13315 1/20 0.67
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3667154 1.00 MEN1 (0.71) MEN1KMT2ACYP3A4HPGDCYP2C19
SCHEMBL4900975 0.82 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDCYP2C19
SCHEMBL5485870 0.76 KDM4E (1.00) MEN1KMT2ACYP3A4CYP2C19KDM4E
SCHEMBL11784892 0.73 KDM4E (0.79) MEN1KMT2ACYP3A4CYP2C19KDM4E
SCHEMBL1669478 0.73 MEN1 (0.61) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL3632266 0.73 MEN1 (0.61) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL978291 0.72 KDM4E (0.71) MEN1KMT2ACYP3A4CYP2C19KDM4E
SCHEMBL1672354 0.72 MEN1 (0.78) MEN1KMT2ACYP3A4KDM4ECYP1A2
SCHEMBL1672357 0.72 MEN1 (0.78) MEN1KMT2ACYP3A4KDM4ECYP1A2
SCHEMBL11786444 0.71 KDM4E (0.69) MEN1KMT2AKDM4EALDH1A1CYP1A2

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
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US 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-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 MEN1 976/4885KMT2A 4121/4885CYP3A4 4403/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MEN1 2759/4885KMT2A 4688/4885CYP3A4 3780/4885

“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.