SCHEMBL3634230

SCHEMBL3634230

O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NN=Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MAPK1 P28482 2/20 0.51
XBP1 P17861 1/20 0.51
ALDH1A1 P00352 2/20 0.48
CFTR P13569 1/20 0.48
GRK2 P25098 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 2/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
ROCK2 O75116 2/20 0.45
POLB P06746 2/20 0.44
GRK3 P35626 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL3634227 1.00 MAPT (0.51) MAPTMAPK1XBP1ALDH1A1CFTR
SCHEMBL3631995 0.87 KMT2A (0.54) MAPTMAPK1XBP1CFTRGRK2
SCHEMBL3631996 0.87 KMT2A (0.54) MAPTMAPK1XBP1CFTRGRK2
SCHEMBL1670013 0.84 MAPT (0.58) MAPTMAPK1XBP1CFTRGRK2
SCHEMBL1670010 0.84 MAPT (0.58) MAPTMAPK1XBP1CFTRGRK2
SCHEMBL690273 0.82 GRK2 (0.65) MAPTMAPK1CFTRGRK2MEN1
SCHEMBL690272 0.82 GRK2 (0.65) MAPTMAPK1CFTRGRK2MEN1
SCHEMBL3630014 0.80 GRK2 (0.69) MAPTMAPK1XBP1CFTRGRK2
SCHEMBL3630016 0.80 GRK2 (0.69) MAPTMAPK1XBP1CFTRGRK2
SCHEMBL3634197 0.79 GRK2 (0.56) MAPTMAPK1XBP1ALDH1A1CFTR

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 MAPT 4663/4885MAPK1 3174/4885XBP1 682/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MAPT 4853/4885MAPK1 2060/4885XBP1 2684/4885

“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.