SCHEMBL4463036

SCHEMBL4463036

N#Cc1ccc(C2(c3c(-c4ccc(Br)cc4)ccc(F)c3C(=O)N3CCOCC3)OC=CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
KDM1A O60341 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EIF4E P06730 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
EPHX2 P34913 1/20 0.37
CNR1 P21554 3/20 0.37
PDE4B Q07343 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
RIPK1 Q13546 1/20 0.35
JAK2 O60674 1/20 0.34
AR P10275 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TSHR P16473 1/20 0.34
GPR183 P32249 1/20 0.34

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
SCHEMBL27626064 0.78 CNR1 (0.48) MKNK1MKNK2EIF4ETP53MDM2
SCHEMBL4463033 0.73 CNR1 (0.70) CNR1TSHRGPR183
SCHEMBL4466142 0.70 RAB9A (0.49) KDM1AEGLN1NPC1RAB9AJAK2
SCHEMBL4468639 0.67 CNR1 (0.77) CNR1TSHRGPR183
SCHEMBL4475343 0.63 CNR1 (0.82) CNR1TSHRGPR183
SCHEMBL21524887 0.63 PHGDH (0.63) MKNK1MKNK2EGLN1EIF4ETSHR
SCHEMBL4002676 0.62 LMNA (0.53) TP53RIPK1TSHR
SCHEMBL2931560 0.60 TSHR (0.54) CNR1NPC1RAB9ATSHR
SCHEMBL16379735 0.60 MAPT (0.57) EPHX2CNR1NPC1RAB9ATSHR
SCHEMBL27607359 0.60 CNR1 (0.74) CNR1TSHRGPR183

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 MKNK1 3067/4885MKNK2 2680/4885KDM1A 1329/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 MKNK1 3322/4885MKNK2 3255/4885KDM1A 761/4885

“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.