SCHEMBL4288632

SCHEMBL4288632

N#CCCCNC(=O)c1n[nH]cc1NC(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 3/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4287109 0.94 KMT2A (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4279805 0.87 MAPT (0.44) SMN1; SMN2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4279804 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4279912 0.85 KMT2A (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4287623 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4279961 0.84 KMT2A (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4281573 0.84 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4283208 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4279807 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL4293142 0.82 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4

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 694/4885KMT2A 871/4885

“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.