SCHEMBL4284498

SCHEMBL4284498

O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21961443 0.87 L3MBTL1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL12993 0.87 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL2035289 0.77 CNR1 (0.42) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL182687 0.74 LMNA (0.41) KDM4ELMNA
SCHEMBL3517466 0.74 CHRNA7 (0.41)
SCHEMBL3431418 0.73 KCNMA1 (0.43) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL3060652 0.73 GPR35 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL13816863 0.72 KMT2A (0.38) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL546991 0.71 NPSR1 (0.43) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL10240268 0.70 GPR35 (0.34) ALDH1A1POLBMAPTHPGDSMN1; SMN2

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 ALDH1A1 694/4885POLB 3501/4885MAPT 868/4885

“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.