SCHEMBL3603344

SCHEMBL3603344

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(/C=N/Oc3ccccc3)cc2Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
GPBAR1 Q8TDU6 5/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL3603352 1.00 MAPT (0.34) MAPTGPBAR1KDM4ECYP1A2CYP2C9
SCHEMBL3617928 0.89 TSHR (0.34) MAPTGPBAR1KDM4ETSHRHTR2A
SCHEMBL3617934 0.89 TSHR (0.34) MAPTGPBAR1KDM4ETSHRHTR2A
SCHEMBL3611541 0.87 GPBAR1 (0.35) MAPTGPBAR1TSHRHTR2AHTR2C
SCHEMBL3611546 0.87 GPBAR1 (0.35) MAPTGPBAR1TSHRHTR2AHTR2C
SCHEMBL3604320 0.86 TSHR (0.35) MAPTGPBAR1KDM4ETSHRHTR2A
SCHEMBL3604328 0.86 TSHR (0.35) MAPTGPBAR1KDM4ETSHRHTR2A
SCHEMBL3615400 0.86 CYP1A2 (0.40) MAPTGPBAR1KDM4ECYP1A2CYP2C9
SCHEMBL3615402 0.86 CYP1A2 (0.40) MAPTGPBAR1KDM4ECYP1A2CYP2C9
SCHEMBL3596778 0.86 KDM4E (0.33) MAPTGPBAR1KDM4ETSHRHTR2A

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 MAPT 3754/4885GPBAR1 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.