SCHEMBL6035689

SCHEMBL6035689

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1C=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 4/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MAPT P10636 3/20 0.39
RXRA P19793 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HDAC3 O15379 1/20 0.38
ADAM17 P78536 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL6035685 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ECACNA1B
SCHEMBL6034476 0.84 HDAC4 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6034471 0.84 HDAC4 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6035925 0.82 PTGS2 (0.40) MEN1KMT2AALDH1A1KDM4EADORA3
SCHEMBL5904618 0.75 NOTUM (0.40) ADORA3CASRTRPA1AADAT
SCHEMBL6036185 0.74 SMN1; SMN2 (0.41) KDM4EMAPTPOLBL3MBTL1CYP1A2
SCHEMBL6036181 0.74 SMN1; SMN2 (0.41) KDM4EMAPTPOLBL3MBTL1CYP1A2
SCHEMBL6035842 0.73 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6035837 0.73 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5904591 0.73 PDE2A (0.41) ADORA3CASRATMTRPA1AADAT

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 MEN1 2048/4885KMT2A 1706/4885ALDH1A1 1442/4885

“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.