SCHEMBL6036261

SCHEMBL6036261

CCOC(=O)c1cn(Cc2ccccc2)nc1C(CC)CC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 3/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
AGTR1 P30556 2/20 0.44
P2RX7 Q99572 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4544356 0.84 ALDH1A1 (0.57) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL4852276 0.82 ALDH1A1 (0.59) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL3493198 0.80 KMT2A (0.58) ALDH1A1LMNATSHRMAPK1SMN1; SMN2
SCHEMBL20477440 0.80 ALDH1A1 (0.56) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL20477455 0.80 LMNA (0.56) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL20187301 0.80 ALDH1A1 (0.56) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL3262512 0.80 ALDH1A1 (0.56) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL5229618 0.79 ALDH1A1 (0.52) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL369360 0.78 MAPT (0.47) ALDH1A1LMNAKDM4EMAPK1SMN1; SMN2
SCHEMBL20477220 0.78 ALDH1A1 (0.54) ALDH1A1LMNATSHRKDM4EMAPK1

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 ALDH1A1 1442/4885LMNA 1816/4885TSHR 910/4885

“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.