SCHEMBL4284474

SCHEMBL4284474

CC(C)OCCNC(=O)c1n[nH]cc1NC(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
TSHR P16473 1/20 0.43
MITF O75030 1/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4281573 0.96 L3MBTL1 (0.49) GRM4SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL4293142 0.90 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL4281447 0.87 TSHR (0.51) SMN1; SMN2ALDH1A1EPHX2KDM4EKMT2A
SCHEMBL4286877 0.85 PAX8 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL4279961 0.85 KMT2A (0.51) SMN1; SMN2ALDH1A1EPHX2KDM4EKMT2A
SCHEMBL4285745 0.85 GRM5 (0.43) SMN1; SMN2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL4279807 0.84 SMN1; SMN2 (0.49) GRM4SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL4287145 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1EPHX2KDM4EHTT
SCHEMBL4279912 0.83 KMT2A (0.51) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL4279804 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1EPHX2KDM4EHTT

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 GRM4 4042/4885SMN1; SMN2 4064/4885ALDH1A1 694/4885

“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.