SCHEMBL6035178

SCHEMBL6035178

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 6/20 0.34
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PANK3 Q9H999 1/20 0.34
HPGD P15428 1/20 0.34
HDAC4 P56524 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ACACB O00763 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
OGA O60502 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
MMP13 P45452 1/20 0.32
SMO Q99835 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
SCHEMBL6035420 0.94 TIPARP (0.36) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6034887 0.86 CNR1 (0.37) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6035102 0.85 CNR1 (0.37) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6035380 0.83 CNR1 (0.39) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6035142 0.83 SMN1; SMN2 (0.36) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6036080 0.83 SMN1; SMN2 (0.36) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6035578 0.81 GAA (0.36) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6035221 0.81 CNR1 (0.40) SMN1; SMN2MAPTKDM4EL3MBTL1APAF1
SCHEMBL6035328 0.80 HDAC4 (0.42) SMN1; SMN2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL6035184 0.80 HRH3 (0.36) SMN1; SMN2MAPTKDM4EL3MBTL1PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885MAPT 4741/4885KDM4E 509/4885

“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.