SCHEMBL4281475

SCHEMBL4281475

O=C(NC1CCCC1)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 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
SCHEMBL12000435 0.89 ALDH1A1 (0.44) HPGDHTTLMNASMN1; SMN2KMT2A
SCHEMBL958059 0.89 ALDH1A1 (0.44) HPGDHTTLMNASMN1; SMN2KMT2A
SCHEMBL2035287 0.89 HPGD (0.42) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13594762 0.85 LMNA (0.50) HPGDLMNA
SCHEMBL2029997 0.81 ALDH1A1 (0.47) LMNASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL13993601 0.81 CD38 (0.45) LMNASMN1; SMN2ALDH1A1
SCHEMBL28760211 0.80 POLB (0.38) HPGDHTTLMNASMN1; SMN2KMT2A
SCHEMBL953721 0.79 L3MBTL1 (0.53) KMT2AMEN1MAPTALDH1A1
Tert-Butyl Formate SCHEMBL28760213 0.78 HTR4 (0.38) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4288266 0.78 NPC1 (0.49) HPGDLMNASMN1; SMN2RAB9ANPC1

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 HPGD 2563/4885HTT 4201/4885LMNA 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.