SCHEMBL6034833

SCHEMBL6034833

CCC(CC)c1nn(Cc2ccccc2)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
PARP1 P09874 1/20 0.36
AADAT Q8N5Z0 2/20 0.36
PTGER1 P34995 1/20 0.36
HTR2C P28335 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6035127 0.87 POLB (0.44) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6036298 0.85 HDAC1 (0.38) MAPTCYP19A1SMN1; SMN2LMNANPC1
SCHEMBL20798455 0.77 PTGDR2 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6036134 0.77 SMN1; SMN2 (0.59) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6035159 0.75 GAA (0.64) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6035164 0.75 GAA (0.64) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28234250 0.75 L3MBTL1 (0.41) MAPTMEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL6036261 0.74 ALDH1A1 (0.54) ALDH1A1KMT2ACYP19A1SMN1; SMN2LMNA
SCHEMBL20187293 0.74 KMT2A (0.43) ALDH1A1KMT2ACYP19A1SMN1; SMN2LMNA
SCHEMBL6035610 0.72 POLB (0.46) CYP19A1HDAC1HDAC7ADORA3PARP1

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 1442/4885MEN1 2048/4885

“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.