SCHEMBL4281132

SCHEMBL4281132

O=C(Nc1cn(C2CCCCO2)nc1C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 2/20 0.39
ADCY1 Q08828 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MCL1 Q07820 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
GRIK1 P39086 1/20 0.36

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
SCHEMBL22236075 0.90 HDAC1 (0.45) HTTKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4287690 0.89 HTT (0.46) HTTCD274HPGDKMT2AMAPT
SCHEMBL4283174 0.87 MAPT (0.45) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4284040 0.86 POLB (0.46) HPGDKMT2ALMNAATMNPC1
SCHEMBL4290584 0.85 CD274 (0.39) HTTCD274HPGDADCY1KMT2A
SCHEMBL4289295 0.85 RORC (0.45) CD274
SCHEMBL4289272 0.84 CD274 (0.41) HTTCD274HPGDMAPTKDM4E
SCHEMBL4285098 0.83 GRM5 (0.40)
SCHEMBL4279986 0.82 KMT2A (0.45) HTTCD274HPGDKMT2AMAPT
SCHEMBL5578296 0.81 NPC1 (0.41) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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 HTT 4201/4885CD274 2230/4885HPGD 2563/4885

“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.