SCHEMBL6854905

SCHEMBL6854905

C[Si](C)(C)Nc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PSIP1 O75475 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPK10 P53779 1/20 0.40
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
ACHE P22303 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL6751579 0.82 ALDH1A1 (0.35) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK10
SCHEMBL9771602 0.73 KMT2A (0.35) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL30662726 0.72
SCHEMBL307353 0.72
SCHEMBL6851021 0.71 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1HPGD
SCHEMBL7073375 0.71
SCHEMBL6857887 0.71 TSHR (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL6851229 0.71 SIGMAR1 (0.39)
SCHEMBL30912304 0.71 RAB9A (0.54) SMN1; SMN2RAB9ANPC1PSIP1ALDH1A1
SCHEMBL29793294 0.71 CXCL8 (0.55) SMN1; SMN2RAB9ANPC1PSIP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-6737193-B2 ACTIVE MATERIALS IN THE POSITIVE ELECTRODES OF BATTERIES. NOVEL METHODS FOR PREPARING THE TETRAKETOPIPERAZINE UNIT-CONTAINING COMPOUNDS INCLUDE: (I) REACTING AN OXALYL HALIDE AND AN OXAMIDE, AND ADDING WATER OR AN AQUEOUS ALKALI IM&T RESEARCH, INC. 2004-05-18 US disclosed
US-20030148188-A1 Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali IM&T RESEARCH, INC. 2003-08-07 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-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SMN1; SMN2 3221/4885RAB9A 2232/4885NPC1 473/4885

“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.