SCHEMBL3607571

SCHEMBL3607571

Cc1nn(C)c(Oc2cc(O)c(C(=O)O)cc2Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.34
GRM1 Q13255 1/20 0.33
MYC P01106 1/20 0.33
GPBAR1 Q8TDU6 5/20 0.33
SHMT2 P34897 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3593706 0.90 HTT (0.40) KDM4EMAPTGPBAR1SHMT2CYP1A2
SCHEMBL3610979 0.89 KDM4E (0.37) KDM4EMAPTGPBAR1SHMT2PDE4D
SCHEMBL3607916 0.87 PDK1 (0.37) KDM4EMAPTGPBAR1HSP90AA1
SCHEMBL3614101 0.84 KDM4E (0.35) KDM4EMAPTGPBAR1SHMT2CYP1A2
SCHEMBL3611438 0.83 KDM4E (0.35) KDM4EMAPTGPBAR1SHMT2CYP1A2
SCHEMBL3608889 0.81 KDM4E (0.34) KDM4EMAPTGPBAR1SHMT2CYP1A2
SCHEMBL3601056 0.80 SMN1; SMN2 (0.40) KDM4EMAPTGPBAR1SHMT2CYP1A2
SCHEMBL3608277 0.79 KDM4E (0.37) KDM4EMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL3613885 0.78 KDM4E (0.35) KDM4EMAPTGPBAR1CYP1A2CYP2C9
SCHEMBL3612135 0.78 LMNA (0.34) KDM4EMAPTGPBAR1CYP1A2CYP2C9

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 KDM4E 2049/4885MAPT 3754/4885POLB 3604/4885

“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.