SCHEMBL3607161

SCHEMBL3607161

C=Cc1c(C)nn(C)c1Oc1cc(O)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NR2F2 P24468 1/20 0.32
HTT P42858 1/20 0.32
GPBAR1 Q8TDU6 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3609801 0.87 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3610722 0.86 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3609174 0.85 FPR2 (0.31)
SCHEMBL3617677 0.85 LMNA (0.36) SMN1; SMN2MAPT
SCHEMBL3603882 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3603878 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3613082 0.84
SCHEMBL3611359 0.83 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3611356 0.83 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3610894 0.83 RAB9A (0.30) SMN1; SMN2MAPT

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.