SCHEMBL5621347

SCHEMBL5621347

COC(=O)c1ccc2c(c1)CCC2=NO[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
MAPK14 Q16539 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL14572029 1.00 MAPT (0.43) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL5621344 1.00 MAPT (0.43) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL13790096 0.87 NPC1 (0.41) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL803513 0.78 HTT (0.51) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL4761270 0.77 CASP1 (0.41) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL5621592 0.77 CASP1 (0.41) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL4722731 0.77 SRD5A1 (0.36) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL4791976 0.77 SRD5A1 (0.36) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL4724633 0.77 SRD5A1 (0.36) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL13790132 0.77 HTT (0.33) MAPTRAB9ANPC1NFKB1NFKB2

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-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF MAPT 574/4885RAB9A 785/4885NPC1 1934/4885

“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.