SCHEMBL3602944

SCHEMBL3602944

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(CCCOc3ccccc3)cc2Cl)c1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 3/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
TTR P02766 1/20 0.34
PPARD Q03181 2/20 0.34
BCL2 P10415 1/20 0.34
MAPT P10636 1/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 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
SCHEMBL3613780 0.90 CD274 (0.37) KDM4EL3MBTL1ALDH1A1KMT2APPARG
SCHEMBL3609078 0.87 KDM4E (0.35) KDM4EL3MBTL1ALDH1A1PPARGGPBAR1
SCHEMBL3602704 0.84 KDM4E (0.42) KDM4EALDH1A1PPARGGPBAR1MAPT
SCHEMBL3607868 0.84 GPBAR1 (0.34) KDM4EALDH1A1GPBAR1MAPT
SCHEMBL3602358 0.83 KDM4E (0.37) KDM4EALDH1A1KMT2APPARGGPBAR1
SCHEMBL3604317 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2APPARGGPBAR1
SCHEMBL3604938 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2APPARGGPBAR1
SCHEMBL3611040 0.80 KDM4E (0.44) KDM4EALDH1A1PPARGGPBAR1MAPT
SCHEMBL3600965 0.80 KDM4E (0.35) KDM4EALDH1A1PPARGGPBAR1MAPT
SCHEMBL3593934 0.80 KDM4E (0.39) KDM4EALDH1A1KMT2APPARGGPBAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R MCL1 4005/4885KDM4E 2049/4885L3MBTL1 3563/4885

“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.