SCHEMBL5474286

SCHEMBL5474286

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL50994 0.83 TSHR (0.54) ALDH1A1L3MBTL1LMNAGLAKMT2A
SCHEMBL5474287 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNAGLARAB9A
SCHEMBL5466818 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAGLARAB9A
SCHEMBL5864165 0.79 KMT2A (0.51) ALDH1A1L3MBTL1RAB9AKMT2AMAPK1
SCHEMBL1612393 0.77 TSHR (0.51) ALDH1A1L3MBTL1LMNAGLAKMT2A
SCHEMBL4415542 0.77 TSHR (0.64) ALDH1A1L3MBTL1LMNAKMT2AMAPK1
SCHEMBL5863528 0.77 TSHR (0.64) ALDH1A1L3MBTL1LMNAKMT2AMAPK1
SCHEMBL8893316 0.77 TSHR (0.59) ALDH1A1L3MBTL1LMNAGLARAB9A
SCHEMBL11398188 0.77 TDP1 (0.56) ALDH1A1L3MBTL1LMNANPSR1KMT2A
SCHEMBL5469003 0.76 TSHR (0.50) ALDH1A1L3MBTL1LMNAGLARAB9A

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 4 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
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
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 1875/4885L3MBTL1 1747/4885LMNA 2632/4885

“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.