SCHEMBL3613780

SCHEMBL3613780

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(COc3ccccc3)cc2Cl)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.37
GPBAR1 Q8TDU6 4/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
PPARG P37231 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35

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
SCHEMBL3602944 0.90 MCL1 (0.37) GPBAR1KDM4EL3MBTL1SLC16A3SLC16A1
SCHEMBL3602704 0.86 KDM4E (0.42) GPBAR1KDM4EALDH1A1MAPTPPARG
SCHEMBL3602358 0.86 KDM4E (0.37) CD274GPBAR1KDM4EALDH1A1KMT2A
SCHEMBL3612217 0.85 KDM4E (0.43) GPBAR1KDM4EL3MBTL1SLC16A3SLC16A1
SCHEMBL3604317 0.83 KDM4E (0.42) GPBAR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL3604938 0.83 KDM4E (0.42) GPBAR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL3602714 0.83 CYP1A2 (0.34) KDM4EL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL3611040 0.83 KDM4E (0.44) GPBAR1KDM4EALDH1A1MAPTPPARG
SCHEMBL3597527 0.83 PKM (0.37) KDM4EL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL3609078 0.82 KDM4E (0.35) CD274GPBAR1KDM4EL3MBTL1ALDH1A1

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 CD274 3521/4885GPBAR1 730/4885KDM4E 2049/4885

“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.