SCHEMBL4279726

SCHEMBL4279726

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
RAB9A P51151 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 5/20 0.37
ALDH1A1 P00352 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4289272 0.86 CD274 (0.41) HPGDRAB9AGAAMAPTSMN1; SMN2
SCHEMBL4279964 0.84 TSHR (0.39) HPGDRAB9AGAAMAPTLMNA
SCHEMBL4288424 0.83 CD274 (0.37) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4281645 0.83 CD274 (0.41) RAB9ANPC1MEN1KMT2ACD274
SCHEMBL4288766 0.83 CD274 (0.42) HPGDRAB9ANPC1GAAMAPT
SCHEMBL4285433 0.82 CD274 (0.38) HPGDRAB9AHSD17B10SMN1; SMN2CD274
SCHEMBL4279713 0.82 CREBBP (0.38) HPGDRAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL4288807 0.82 RORC (0.42)
SCHEMBL4287284 0.82 HPGD (0.42) HPGDRAB9ANPC1MAPTLMNA
SCHEMBL4288206 0.82 IRAK4 (0.37) CD274

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 HPGD 2563/4885RAB9A 291/4885L3MBTL1 3482/4885

“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.