SCHEMBL6034971

SCHEMBL6034971

CC(C)c1nn(Cc2ccccc2)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 1/20 0.40
ADORA3 P0DMS8 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 5/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
PARP1 P09874 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37

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
SCHEMBL6036298 0.80 HDAC1 (0.38) HTR2CL3MBTL1RORCADORA3NPC1
SCHEMBL6036214 0.75 HTR2C (0.39) HTR2CL3MBTL1RORCADORA3NPC1
SCHEMBL6035610 0.75 POLB (0.46) HTR2CRORCADORA3CYP19A1CACNA1G
SCHEMBL6036115 0.74 KMT2A (0.47) L3MBTL1SMN1; SMN2LMNAMAPTCACNA1G
SCHEMBL22346821 0.73 SMN1; SMN2 (0.52) HTR2CL3MBTL1ADORA3NPC1RAB9A
SCHEMBL6035049 0.73 GAA (0.65) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6035042 0.73 GAA (0.65) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL25680697 0.71 CYP19A1 (0.44) HTR2CL3MBTL1ADORA3NPC1RAB9A
SCHEMBL6035245 0.70 HDAC1 (0.37) HTR2CL3MBTL1RORCADORA3NPC1
SCHEMBL370456 0.70 AADAT (0.42) L3MBTL1NPC1RAB9ACYP19A1MAPT

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 HTR2C 3613/4885L3MBTL1 1040/4885RORC 520/4885

“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.