SCHEMBL6035864

SCHEMBL6035864

CCOc1nn(Cc2ccccc2)cc1CCCC=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CREBBP Q92793 1/20 0.39
DGAT1 O75907 1/20 0.38
CYP19A1 P11511 4/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
EGFR P00533 1/20 0.35
AADAT Q8N5Z0 1/20 0.35

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
SCHEMBL6035017 0.85 POLB (0.44) LMNAHDAC1HDAC7ALDH1A1CREBBP
SCHEMBL6034607 0.84 HDAC1 (0.43) LMNAHDAC1HDAC7ALDH1A1CREBBP
SCHEMBL6035946 0.81 HDAC1 (0.39) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL6034538 0.80 HDAC1 (0.38) LMNAMAPTHDAC1HDAC7ALDH1A1
SCHEMBL5373814 0.79 CYP4F2 (0.50) LMNAHDAC1HDAC7ALDH1A1CREBBP
SCHEMBL6035970 0.78 HDAC1 (0.37) LMNAMAPTHDAC1HDAC7ALDH1A1
SCHEMBL5380360 0.76 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1CREBBPDGAT1
SCHEMBL5373798 0.74 FFAR1 (0.54) HDAC1CACNA1GCACNA1HCACNA1I
SCHEMBL5374629 0.72 PPARG (0.46) LMNAHDAC1ALDH1A1CACNA1GCACNA1H
SCHEMBL6034656 0.72 PPARA (0.48) LMNAALDH1A1CREBBP

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 4408/4885LMNA 1816/4885NPC1 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.