SCHEMBL3609422

SCHEMBL3609422

Cc1nn(C)c(Oc2ccc(CC(=O)O)cc2Cl)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARD Q03181 1/20 0.42
CA2 P00918 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
PTGDR Q13258 3/20 0.38
GPBAR1 Q8TDU6 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3605188 0.86 CA2 (0.43) PPARDCA2SLC22A12THRATHRB
SCHEMBL3612387 0.83 SLC22A12 (0.42) PPARDCA2SLC22A12THRATHRB
SCHEMBL26719555 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19GPBAR1
SCHEMBL24162679 0.81 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19GPBAR1
SCHEMBL3615358 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19SLC22A12
SCHEMBL3607752 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19CA2
SCHEMBL3607758 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19CA2
SCHEMBL3614492 0.79 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19GPBAR1
SCHEMBL3609801 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19GPBAR1
SCHEMBL3613237 0.75 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19PTGDR

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 SMN1; SMN2 4515/4885CYP1A2 137/4885CYP2C9 145/4885

“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.