SCHEMBL4284552

SCHEMBL4284552

CC(C)NC(=O)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 2/20 0.39
GLA P06280 1/20 0.38
HCAR3 P49019 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13543760 0.83 SLC6A2 (0.40) LMNASMN1; SMN2ALDH1A1POLBHCAR3
SCHEMBL546991 0.80 NPSR1 (0.43) LMNACYP1A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13544467 0.79 L3MBTL1 (0.43) LMNAALDH1A1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL3467163 0.78 NPSR1 (0.42) LMNACYP1A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4281475 0.76 HPGD (0.53) LMNASMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL182687 0.75 LMNA (0.41) LMNAHCAR3KDM4E
SCHEMBL2035289 0.75 CNR1 (0.42) HTTALDH1A1KMT2AMEN1POLB
SCHEMBL7514225 0.75 KMT2A (0.49) LMNASMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL4284542 0.75 SMN1; SMN2 (0.45) LMNACYP1A2SMN1; SMN2ADORA3ADORA2A
SCHEMBL3060652 0.74 GPR35 (0.40) LMNACYP1A2SMN1; SMN2HTTALDH1A1

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 LMNA 2198/4885CYP1A2 378/4885SMN1; SMN2 4064/4885

“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.