SCHEMBL6035946

SCHEMBL6035946

CCOc1nn(Cc2ccccc2)cc1CCCCOS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
CREBBP Q92793 1/20 0.36
CYP19A1 P11511 4/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6034607 0.82 HDAC1 (0.43) HDAC1HDAC7CREBBPCYP19A1ALDH1A1
SCHEMBL6035864 0.81 SMN1; SMN2 (0.41) HDAC1HDAC7CREBBPCYP19A1ALDH1A1
SCHEMBL6035017 0.80 POLB (0.44) HDAC1HDAC7CREBBPCYP19A1ALDH1A1
SCHEMBL6034538 0.76 HDAC1 (0.38) HDAC1HDAC7CREBBPCYP19A1ALDH1A1
SCHEMBL5373814 0.74 CYP4F2 (0.50) HDAC1HDAC7CREBBPALDH1A1LMNA
SCHEMBL6035970 0.74 HDAC1 (0.37) HDAC1HDAC7CREBBPCYP19A1ALDH1A1
SCHEMBL6281639 0.73 ALDH1A1 (0.41) HDAC1HDAC7CREBBPALDH1A1LMNA
SCHEMBL6034493 0.73 PPARA (0.50) HDAC1HDAC7CREBBPALDH1A1L3MBTL1
SCHEMBL5380360 0.71 ALDH1A1 (0.49) CREBBPALDH1A1LMNACACNA1GCACNA1H
SCHEMBL2658522 0.71 KDM4E (0.56) ALDH1A1LMNAL3MBTL1KDM4EUSP2

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 HDAC1 398/4885HDAC7 526/4885CREBBP 1338/4885

“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.