SCHEMBL23908973

SCHEMBL23908973

C[Si](C)(C)CCOCn1nc(CC=O)c(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
SRC P12931 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
CNKSR1 Q969H4 1/20 0.35
ALDH1A1 P00352 2/20 0.32
SLC16A3 O15427 1/20 0.31
SCN8A Q9UQD0 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
SCHEMBL23915295 0.85 CNKSR1 (0.35) CNKSR1ALDH1A1SLC16A3SCN8A
SCHEMBL23915000 0.84 DGAT1 (0.36) NPC1EGFRIGF1RSRCFLT4
SCHEMBL23908827 0.84 NPC1 (0.43) NPC1EGFRIGF1RSRCFLT4
SCHEMBL23914644 0.83 NPC1 (0.33) NPC1EGFRIGF1RSRCFLT4
SCHEMBL23908911 0.83 MAPT (0.45) NPC1SLC16A3
SCHEMBL23909037 0.81 NPC1 (0.44) NPC1EGFRIGF1RSRCFLT4
SCHEMBL28381362 0.79 NPC1 (0.42) NPC1EGFRIGF1RSRCFLT4
SCHEMBL29396507 0.79 NPC1 (0.42) NPC1EGFRIGF1RSRCFLT4
SCHEMBL14735600 0.79 NPC1 (0.42) NPC1EGFRIGF1RSRCFLT4
SCHEMBL14158232 0.78 NPC1 (0.43) NPC1EGFRIGF1RSRCFLT4

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 NPC1 467/4885EGFR 1737/4885IGF1R 421/4885

“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.