SCHEMBL5474287

SCHEMBL5474287

C[Si](C)(C)CCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.39
PTGS2 P35354 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL5474286 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL5864166 0.80 ALDH1A1 (0.50) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL5466819 0.80 ALDH1A1 (0.49) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL8893316 0.80 TSHR (0.59) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL8547913 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL28067351 0.78 ALDH1A1 (0.61) ALDH1A1MAPTTSHRPOLBL3MBTL1
SCHEMBL5863528 0.77 TSHR (0.64) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL4415542 0.77 TSHR (0.64) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL3803733 0.77 TSHR (0.58) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL10649262 0.76 CYP3A4 (0.51) ALDH1A1MAPTTSHRPOLBMEN1

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 ALDH1A1 1875/4885MAPT 4777/4885TSHR 101/4885

“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.