SCHEMBL4147145

SCHEMBL4147145

CC(C)(C)OC(=O)NCc1ccc(CN)o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
NAMPT P43490 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL18136745 0.86 KDM4A (0.44) KDM4AL3MBTL1NAMPTKDM4ELMNA
SCHEMBL4153485 0.86 KDM4A (0.44) KDM4AL3MBTL1CA1CA12NAMPT
SCHEMBL15225483 0.85 KDM4A (0.43) KDM4AL3MBTL1CA1CA12NAMPT
SCHEMBL24139860 0.85 KDM4A (0.43) KDM4AL3MBTL1CA1CA2CA12
SCHEMBL11489339 0.84 KDM4A (0.42) KDM4AL3MBTL1CA1CA12NAMPT
SCHEMBL3028012 0.83 PKM (0.45) KDM4AL3MBTL1CA1CA12CA9
SCHEMBL27881128 0.82 KDM4A (0.41) KDM4AL3MBTL1NAMPTKDM4ELMNA
SCHEMBL24139945 0.82 KDM4A (0.43) KDM4AL3MBTL1NAMPTKDM4ELMNA
SCHEMBL3014110 0.81 CTSS (0.42) KDM4AL3MBTL1
SCHEMBL4137495 0.81 ALDH1A1 (0.41) KDM4AL3MBTL1NAMPTKDM4ELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDM4A 2918/4885L3MBTL1 4568/4885CA1 1530/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4A 2933/4885L3MBTL1 4095/4885CA1 1157/4885

“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.