SCHEMBL4279778

SCHEMBL4279778

COC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cccc(NC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.39
FGFR1 P11362 1/20 0.38
DDR2 Q16832 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4284040 0.91 POLB (0.46) POLBALDH1A1SMYD3RAB9AL3MBTL1
SCHEMBL4287690 0.87 HTT (0.46) POLBALDH1A1RAB9AL3MBTL1LMNA
SCHEMBL30134079 0.85 CNR2 (0.38) ALDH1A1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL22235899 0.83 ALDH1A1 (0.46) POLBALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL8273357 0.81 CCNA2 (0.39) POLBRAB9ANPC1
SCHEMBL3583397 0.81 POLB (0.42) POLBALDH1A1RAB9ATSHRCLK1
SCHEMBL4287669 0.79 IRAK4 (0.44)
SCHEMBL4287697 0.79 RORC (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4285703 0.79 MAPT (0.43) POLBRAB9ALMNASMN1; SMN2NPC1
SCHEMBL4281132 0.77 HTT (0.42) POLBALDH1A1RAB9ALMNASMN1; SMN2

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 POLB 3501/4885ALDH1A1 694/4885SMYD3 1232/4885

“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.