SCHEMBL3630338

SCHEMBL3630338

O=C(COc1ccc(OC(F)(F)F)cc1)NN=Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
POLB P06746 3/20 0.55
MAPT P10636 7/20 0.49
LMNA P02545 3/20 0.49
BACE1 P56817 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GCGR P47871 2/20 0.47
PKM P14618 1/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TP53 P04637 1/20 0.46
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL3630336 1.00 KMT2A (0.55) KMT2AMEN1POLBMAPTLMNA
SCHEMBL3626077 0.87 KMT2A (0.61) KMT2AMEN1POLBMAPTLMNA
SCHEMBL3626079 0.87 KMT2A (0.61) KMT2AMEN1POLBMAPTLMNA
SCHEMBL1672460 0.85 KMT2A (0.65) KMT2AMEN1POLBMAPTLMNA
SCHEMBL1672463 0.85 KMT2A (0.65) KMT2AMEN1POLBMAPTLMNA
SCHEMBL3634197 0.85 GRK2 (0.56) KMT2AMEN1POLBMAPTLMNA
SCHEMBL3634195 0.85 GRK2 (0.56) KMT2AMEN1POLBMAPTLMNA
SCHEMBL1669478 0.83 MEN1 (0.61) KMT2AMEN1POLBMAPTLMNA
SCHEMBL3632266 0.83 MEN1 (0.61) KMT2AMEN1POLBMAPTLMNA
SCHEMBL1672374 0.81 KMT2A (0.56) KMT2AMEN1POLBMAPTLMNA

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 KMT2A 4121/4885MEN1 976/4885POLB 2630/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 KMT2A 4688/4885MEN1 2759/4885POLB 2920/4885

“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.