SCHEMBL4287623

SCHEMBL4287623

O=C(O)CCCNC(=O)c1n[nH]cc1NC(=O)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.46
PPARG P37231 3/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4279912 0.89 KMT2A (0.51) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL4279804 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL4283208 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL4281267 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAHDAC1HDAC3
SCHEMBL4279961 0.86 KMT2A (0.51) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL4281447 0.85 TSHR (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4281575 0.85 RAB9A (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4288632 0.85 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL4279807 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4
SCHEMBL4286948 0.84 KMT2A (0.50) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC4

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 SMN1; SMN2 4064/4885ALDH1A1 694/4885LMNA 2198/4885

“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.