SCHEMBL1633759

SCHEMBL1633759

CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCCOc1nn(-c2ccccc2)cc1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
GCGR P47871 1/20 0.35
HPGD P15428 1/20 0.34
HDAC4 P56524 1/20 0.34
DRD2 P14416 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGES O14684 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DGAT1 O75907 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33
ROCK2 O75116 1/20 0.33
LIPE Q05469 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
SCHEMBL6034593 0.98 HCRTR1 (0.37) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6035046 0.90 HCRTR1 (0.36) HCRTR1HCRTR2KDM4ESMN1; SMN2LMNA
SCHEMBL6034670 0.88 KDM4E (0.42) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6221786 0.88 SMN1; SMN2 (0.36) HCRTR1HCRTR2KDM4ESMN1; SMN2LMNA
SCHEMBL6035764 0.88 HCRTR1 (0.36) HCRTR1HCRTR2KDM4ESMN1; SMN2LMNA
SCHEMBL6035797 0.88 PPARD (0.42) KDM4ESMN1; SMN2LMNAPPARDPPARA
SCHEMBL6035747 0.87 KDM4E (0.36) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6036296 0.87 HCRTR1 (0.36) HCRTR1HCRTR2KDM4ESMN1; SMN2LMNA
SCHEMBL6035895 0.86 KDM4E (0.43) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6035863 0.85 PPARD (0.41) KDM4ESMN1; SMN2LMNAPPARDPPARA

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 7 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 claimed
US-7932289-B2 Remedy for diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-26 US disclosed
US-20080319077-A1 Remedy for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-12-25 US disclosed
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 (2 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-20080319077-A1 Remedy for Diabetes GPR119, GLP1R, GPR65 HCRTR1 567/4885HCRTR2 464/4885KDM4E 3305/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 HCRTR1 215/4885HCRTR2 321/4885KDM4E 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.