SCHEMBL3604252

SCHEMBL3604252

COCOc1cc(Oc2c(C)c(C)nn2C)c(Cl)cc1CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3606636 0.89 SHMT2 (0.31) SHMT2
SCHEMBL3602714 0.83 CYP1A2 (0.34) KDM4EMAPT
SCHEMBL3617798 0.81 SMN1; SMN2 (0.37) SHMT2KDM4E
SCHEMBL3602358 0.79 KDM4E (0.37) SHMT2KDM4EMAPT
SCHEMBL3613966 0.78 L3MBTL1 (0.39) SHMT2KDM4EMAPT
SCHEMBL3613962 0.78 L3MBTL1 (0.39) SHMT2KDM4EMAPT
SCHEMBL3593934 0.77 KDM4E (0.39) SHMT2KDM4EMAPT
SCHEMBL3608889 0.76 KDM4E (0.34) SHMT2KDM4EMAPT
SCHEMBL3610663 0.74 ALOX5 (0.32) KDM4EMAPT
SCHEMBL3605106 0.74 GPBAR1 (0.36) KDM4EMAPT

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 SHMT2 411/4885KDM4E 2049/4885MAPT 3754/4885

“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.