SCHEMBL5481201

SCHEMBL5481201

C[Si](C)(C)OCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
CYP1A2 P05177 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
GRM2 Q14416 1/20 0.32
CDK2 P24941 3/20 0.32
CCNA2 P20248 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CDK1 P06493 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL9189874 0.87 SLC1A3 (0.30) SLC1A3SLC1A2SLC1A1
SCHEMBL8512652 0.87
SCHEMBL2728771 0.79 CTSL (0.32) SLC1A3SLC1A2SLC1A1CYP1A2CTSL
SCHEMBL6458793 0.79 CTSL (0.32) SLC1A3SLC1A2SLC1A1CYP1A2CTSL
SCHEMBL7738017 0.78 CYP1A2 (0.35) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL7739318 0.78 CYP1A2 (0.35) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL7739287 0.78 CYP1A2 (0.35) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL7739395 0.78 CYP1A2 (0.35) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL7738582 0.78 CYP1A2 (0.35) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL24719157 0.76 TDP1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed
US-20050026923-A1 Quinoxaline derivatives having antiviral activity BAUSCH HEALTH POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (F/K/A VALEANT PHARMA POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA) (PL) 2005-02-03 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-20050026923-A1 Quinoxaline derivatives having antiviral activity IRF3, MAVS, EIF2AK2 SLC1A3 2916/4885SLC1A2 3756/4885SLC1A1 2940/4885

“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.