SCHEMBL6035601

SCHEMBL6035601

CC(C)c1nn(-c2ccc([N+](=O)[O-])cn2)cc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.38
PANK3 Q9H999 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL6034542 0.82 MAPT (0.41) MAPTALDH1A1PANK3LMNANPC1
SCHEMBL6035787 0.81 CYP11B1 (0.34) MAPTALDH1A1PANK3MEN1KMT2A
SCHEMBL6035571 0.80 KCNJ1 (0.44) MAPTLMNAKMT2A
SCHEMBL6034887 0.78 CNR1 (0.37) MAPTALDH1A1PANK3LMNANPSR1
SCHEMBL6035090 0.78 KDM4E (0.39) ALDH1A1PANK3L3MBTL1
SCHEMBL6035706 0.77 PPARG (0.42) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL6034304 0.72 OGA (0.31)
SCHEMBL6035715 0.71 RORC (0.31)
SCHEMBL6035380 0.70 CNR1 (0.39) MAPTALDH1A1PANK3LMNACYP1A2
SCHEMBL6035604 0.70 CYP11B1 (0.33)

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 MAPT 4741/4885ALDH1A1 1442/4885PANK3 4579/4885

“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.