SCHEMBL25344725

SCHEMBL25344725

C[Si](C)(C)CCOCn1c(CO)cc(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
DUT P33316 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PNP P00491 1/20 0.30
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
EPHB4 P54760 1/20 0.30

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
SCHEMBL6727003 0.88 NPC1 (0.37) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6722438 0.82 ATM (0.38) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6723774 0.81 NPC1 (0.37) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6726798 0.80 NPC1 (0.40) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25346960 0.79 NPC1 (0.47) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25343757 0.78 NPC1 (0.38) NPC1ALDH1A1MAPTKDM4EHTT
SCHEMBL25346003 0.78 NPC1 (0.36) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25346325 0.78 NPC1 (0.39) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25345207 0.77 NPC1 (0.35) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6719796 0.77 DUT (0.37) NPC1DUTALDH1A1MAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-01 US disclosed
EP-4472627-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2024-12-11 EP disclosed
CN-118922185-A N3-substituted uracil compounds as TRPA1 inhibitors D·E·萧尔研究有限责任公司 2024-11-08 CN disclosed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO 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-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, SLC28A1 NPC1 465/4885DUT 306/4885ALDH1A1 268/4885

“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.