SCHEMBL2656706

SCHEMBL2656706

N#Cc1cc(SC2CCCC2)ccc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.73
MAOB P27338 7/20 0.73
AR P10275 5/20 0.55
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PRKACA P17612 3/20 0.35
PRKACG P22612 3/20 0.35
PRKACB P22694 3/20 0.35
MCL1 Q07820 1/20 0.33
XDH P47989 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8955927 0.79 MAOA (0.76) MAOAMAOBARCYP1A2TSHR
SCHEMBL11250558 0.78 MAOA (0.53) MAOAMAOBARCYP3A4TSHR
SCHEMBL8956123 0.77 MAOA (0.77) MAOAMAOBARTSHRXDH
SCHEMBL21491120 0.74 MAOA (0.69) MAOAMAOBAR
SCHEMBL12875976 0.74 AR (0.94) MAOAMAOBAR
SCHEMBL27357404 0.73 MAOA (0.49) MAOAMAOBARCYP3A4TSHR
SCHEMBL2657481 0.72 MAPT (0.56) MAOAMAOBCYP1A2CYP3A4TSHR
SCHEMBL6831166 0.72 MAPT (0.40) MAOAMAOBCYP1A2CYP3A4TSHR
SCHEMBL23295265 0.72 MAOA (0.96) MAOAMAOBAR
SCHEMBL2578708 0.70 MAOA (1.00) MAOAMAOBAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK MAOA 2861/4885MAOB 2416/4885AR 1328/4885

“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.