SCHEMBL23908948

SCHEMBL23908948

COC(=O)C(C)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
PTGS2 P35354 2/20 0.36
S1PR2 O95136 4/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX4 Q99571 1/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL23914841 0.89 NPC1 (0.42) NPC1ALDH1A1SMN1; SMN2LMNAS1PR2
SCHEMBL23914659 0.88 NPC1 (0.41) NPC1ALDH1A1SMN1; SMN2LMNAS1PR2
SCHEMBL23914657 0.87 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2LMNAPTGS2S1PR2
SCHEMBL23908966 0.83 S1PR2 (0.46) NPC1ALDH1A1SMN1; SMN2LMNAS1PR2
SCHEMBL23909037 0.79 NPC1 (0.44) NPC1ALDH1A1SMN1; SMN2LMNAS1PR2
SCHEMBL23909127 0.78 NPC1 (0.43) NPC1ALDH1A1SMN1; SMN2LMNAS1PR2
SCHEMBL23909128 0.78 NPC1 (0.43) NPC1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL28381362 0.77 NPC1 (0.42) NPC1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL14158206 0.77 ELANE (0.50) NPC1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL23908911 0.76 MAPT (0.45) NPC1S1PR2KMT2ATSHR

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 467/4885ALDH1A1 944/4885SMN1; SMN2 2920/4885

“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.