SCHEMBL23915005

SCHEMBL23915005

COC(=O)Cc1nn(COCC[Si](C)(C)C)c2cccc(C)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
DGAT1 O75907 3/20 0.34
CMA1 P23946 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RECQL P46063 1/20 0.32
SLC6A4 P31645 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
KDM4E B2RXH2 3/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
FLT4 P35916 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
SCHEMBL23915455 0.90 SMN1; SMN2 (0.39) NPC1CMA1SMN1; SMN2
SCHEMBL23915024 0.87 CMA1 (0.32) CMA1SMN1; SMN2RECQLGPR139KDM4E
SCHEMBL23915531 0.84 NPC1 (0.35) NPC1DGAT1CMA1EGFRIGF1R
SCHEMBL23909037 0.84 NPC1 (0.44) NPC1SMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL23914644 0.82 NPC1 (0.33) NPC1CMA1EGFRIGF1RSRC
SCHEMBL23914662 0.77 DGAT1 (0.36) NPC1DGAT1SLC6A4HTR2AHTR2C
SCHEMBL23915456 0.76 AKR1B1 (0.38) CMA1SMN1; SMN2
SCHEMBL28381362 0.74 NPC1 (0.42) NPC1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL23908911 0.73 MAPT (0.45) NPC1KMT2A
SCHEMBL31198904 0.71 NPC1 (0.32) 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 NPC1 467/4885DGAT1 1128/4885CMA1 260/4885

“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.