SCHEMBL6035774 — predicted protein targets

Known targets — ChEMBL curated mechanism

GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HMGCR MMP1 MMP13 MMP7 MMP8 PTGS1 PTGS2 ileS pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	AURKA	O14965	1/20	0.35

▸	ALDH1A1	P00352	3/20	0.35

▸	NPC1	O15118	2/20	0.35

▸	RAB9A	P51151	2/20	0.35

▸	SMN1; SMN2	Q16637	2/20	0.35

▸	TSHR	P16473	2/20	0.35

▸	MAPK1	P28482	2/20	0.35

▸	TDP1	Q9NUW8	1/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.35

▸	PPARA	Q07869	7/20	0.35

▸	PPARG	P37231	5/20	0.35

▸	SLC16A3	O15427	1/20	0.34

▸	SLC16A1	P53985	1/20	0.34

▸	GLA	P06280	1/20	0.34

▸	NFKB1	P19838	1/20	0.34

▸	NFKB2	Q00653	1/20	0.34

▸	RELA	Q04206	1/20	0.34

▸	NPSR1	Q6W5P4	1/20	0.34

▸	PPARD	Q03181	2/20	0.33

▸	FBP1	P09467	1/20	0.33

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.

Compound	similarity	top predicted	shared targets
SCHEMBL6035144	0.92	PPARG (0.35)	ALDH1A1NPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6035703	0.91	DGAT1 (0.37)	MAPK1L3MBTL1PPARAPPARGPPARD
SCHEMBL6035775	0.90	PPARG (0.41)	PPARAPPARGSLC16A3SLC16A1PPARD
SCHEMBL6034475	0.86	DGAT1 (0.40)	ALDH1A1L3MBTL1PPARAPPARGKDM4E
SCHEMBL6034648	0.84	DGAT1 (0.35)	MAPK1L3MBTL1PPARAPPARGSLC16A3
SCHEMBL6034824	0.83	PPARG (0.34)	ALDH1A1PPARAPPARGSLC16A3SLC16A1
SCHEMBL6035146	0.82	PPARG (0.44)	PPARAPPARGSLC16A3SLC16A1PPARD
SCHEMBL6035651	0.81	ALDH1A1 (0.38)	ALDH1A1RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL6035708	0.81	PPARA (0.43)	PPARAPPARGPPARD
SCHEMBL6034583	0.81	SMN1; SMN2 (0.39)	NPC1RAB9ASMN1; SMN2MAPK1PPARA

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20060148858-A1	1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2006-07-06	—	—	US	disclosed
WO-2003099793-A9	1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY	TAKEDA PHARMACEUTICAL (JP)	2005-02-10	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20060148858-A1	1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity	GPR119, SLC5A1, CYP4B1	AURKA 4147/4885ALDH1A1 1442/4885NPC1 565/4885

“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.