SCHEMBL4286877

SCHEMBL4286877

CC(C)OCCNC(=O)c1n[nH]cc1NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.56
GSK3B P49841 2/20 0.51
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.45
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL27963733 0.86 TSHR (0.55) PAX8GSK3BTSHRL3MBTL1NAMPT
SCHEMBL4284474 0.85 GRM4 (0.47) TSHRL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL4293839 0.85 PAX8 (0.59) PAX8TSHRNAMPTSMN1; SMN2HTT
SCHEMBL4279916 0.84 GSK3B (0.66) PAX8GSK3BTSHRL3MBTL1SMN1; SMN2
SCHEMBL5268958 0.82 RAB9A (0.52) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4283194 0.82 PAX8 (0.65) PAX8GSK3BTSHRL3MBTL1NAMPT
SCHEMBL4281573 0.81 L3MBTL1 (0.49) PAX8GSK3BTSHRL3MBTL1SMN1; SMN2
SCHEMBL4285745 0.81 GRM5 (0.43) PAX8GSK3BTSHRL3MBTL1NAMPT
SCHEMBL5267481 0.81 MDM4 (0.49) SMN1; SMN2HTTALDH1A1HPGDNPC1
SCHEMBL15062819 0.81 GSK3B (0.71) PAX8GSK3BTSHRL3MBTL1NAMPT

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP PAX8 3189/4885GSK3B 1/4885TSHR 2251/4885

“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.