SCHEMBL4292697

SCHEMBL4292697

O=C(NCCc1ccccc1)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 6/20 0.55
TAAR1 Q96RJ0 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLCG2 P16885 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.48
CASP6 P55212 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4289254 0.87 GAA (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4279819 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TAAR1L3MBTL1
SCHEMBL14511667 0.80 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13816928 0.78 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TAAR1L3MBTL1
SCHEMBL953645 0.77 MAPT (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5269033 0.77 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL13544467 0.76 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5268958 0.76 RAB9A (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5266006 0.75 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5269683 0.75 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TAAR1L3MBTL1

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 RAB9A 291/4885NPC1 1266/4885SMN1; 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.