SCHEMBL3608889

SCHEMBL3608889

CCc1cc(Cl)c(Oc2c(C)c(C)nn2C)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
GPBAR1 Q8TDU6 9/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
SHMT2 P34897 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 2/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL3614091 0.90 MAPT (0.34) KDM4EMAPTGPBAR1CYP1A2CYP2C19
SCHEMBL3610663 0.85 ALOX5 (0.32) KDM4EMAPT
SCHEMBL3614101 0.85 KDM4E (0.35) KDM4EMAPTGPBAR1CYP1A2CYP2C19
SCHEMBL3604914 0.84 POLB (0.42) KDM4EMAPTGPBAR1SHMT2SMN1; SMN2
SCHEMBL3611438 0.84 KDM4E (0.35) KDM4EMAPTGPBAR1CYP1A2CYP2C19
SCHEMBL3597527 0.82 PKM (0.37) KDM4EMAPTCYP1A2CYP2C19CYP2C9
SCHEMBL3601056 0.81 SMN1; SMN2 (0.40) KDM4EMAPTGPBAR1CYP1A2CYP2C19
SCHEMBL3593706 0.81 HTT (0.40) KDM4EMAPTGPBAR1CYP1A2CYP2C19
SCHEMBL3607571 0.81 KDM4E (0.41) KDM4EMAPTGPBAR1CYP1A2CYP2C19
SCHEMBL3610979 0.80 KDM4E (0.37) KDM4EMAPTGPBAR1CYP1A2CYP2C19

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 3754/4885GPBAR1 730/4885

“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.