SCHEMBL4287032

SCHEMBL4287032

O=C(NCc1ccco1)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 6/20 0.56
LMNA P02545 5/20 0.56
POLB P06746 4/20 0.56
HTT P42858 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
NFKB1 P19838 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
NFKB2 Q00653 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.47

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
SCHEMBL4284499 0.81 TDP1 (0.53) ALDH1A1LMNAPOLBTDP1MEN1
SCHEMBL4289254 0.80 GAA (0.54) HPGDALDH1A1POLBHTTL3MBTL1
SCHEMBL13816897 0.79 TDP1 (0.51) HPGDALDH1A1LMNAPOLBTDP1
SCHEMBL5268978 0.77 POLB (0.53) HPGDALDH1A1POLBHTTRELA
SCHEMBL5266740 0.77 TDP1 (0.49) HPGDALDH1A1LMNAPOLBTDP1
SCHEMBL5268265 0.75 TDP1 (0.47) HPGDALDH1A1LMNAPOLBTDP1
SCHEMBL5269122 0.75 ALDH1A1 (0.54) HPGDALDH1A1LMNAPOLBTDP1
SCHEMBL13544467 0.74 L3MBTL1 (0.43) ALDH1A1LMNAPOLBL3MBTL1MEN1
SCHEMBL5269241 0.73 POLB (0.53) HPGDALDH1A1LMNAPOLBHTT
SCHEMBL4284612 0.73 ALDH1A1 (0.51) HPGDALDH1A1LMNAPOLBTDP1

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 2563/4885ALDH1A1 694/4885LMNA 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.