SCHEMBL31171663

SCHEMBL31171663

C[Si](C)(C)CCOCn1nccc(Br)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
DGAT1 O75907 3/20 0.35
F2RL1 P55085 1/20 0.34
S1PR4 O95977 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
S1PR1 P21453 3/20 0.32
HTT P42858 3/20 0.32
RAB9A P51151 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
XBP1 P17861 2/20 0.32
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
PPARG P37231 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL26136082 0.82 F2RL1 (0.40) NPC1DGAT1F2RL1MAPTATR
SCHEMBL18338476 0.81 DGAT1 (0.38) NPC1DGAT1F2RL1ATRATRIP
SCHEMBL21519273 0.81 NPC1 (0.50) NPC1DGAT1F2RL1S1PR4ALDH1A1
SCHEMBL26126773 0.78 DGAT1 (0.38) NPC1DGAT1F2RL1ALDH1A1LMNA
SCHEMBL21519281 0.78 ALDH1A1 (0.40) NPC1DGAT1S1PR4ALDH1A1LMNA
SCHEMBL30101425 0.78 NPC1 (0.34) NPC1DGAT1F2RL1ALDH1A1LMNA
SCHEMBL31171650 0.78 NPC1 (0.39) NPC1DGAT1F2RL1S1PR4ALDH1A1
SCHEMBL26128948 0.77 NPC1 (0.41) NPC1DGAT1S1PR4ALDH1A1LMNA
SCHEMBL3957728 0.77 NPC1 (0.37) NPC1DGAT1F2RL1ATRATRIP
SCHEMBL160484 0.75 DGAT1 (0.36) NPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF NOVOSTAR PHARMACEUTICALS, LTD. (CN) 2024-10-10 US 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-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF PARP1, PARP3, PARP11 NPC1 2560/4885DGAT1 1551/4885F2RL1 1259/4885

“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.