SCHEMBL4288230

SCHEMBL4288230

Cn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
TSHR P16473 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
NPY1R P25929 1/20 0.61
NPY2R P49146 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 3/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
MITF O75030 1/20 0.50
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALPL P05186 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL12000433 0.86 L3MBTL1 (0.51) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL4279828 0.79 LMNA (0.70) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1557959 0.78 L3MBTL1 (0.67) LMNASMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL7517978 0.78 SMN1; SMN2 (0.71) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL4279856 0.78 RAB9A (0.43) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL18049578 0.77 L3MBTL1 (0.69) LMNASMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL15403035 0.77 LMNA (0.67) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7513747 0.76 LMNA (0.66) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7517973 0.76 SMN1; SMN2 (0.67) LMNATSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL4281475 0.75 HPGD (0.53) LMNATSHRSMN1; SMN2ALDH1A1RAB9A

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 2198/4885TSHR 2251/4885SMN1; 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.