SCHEMBL6725691

SCHEMBL6725691

C[Si](C)(C)C#Cc1ccc2ccsc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
DYRK1A Q13627 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL28683845 0.86 DYRK1A (0.40) DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL1914269 0.77 CYP1A1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12986433 0.75 CYP1A2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL762098 0.75 CYP2A6 (0.35) DYRK1A
SCHEMBL762259 0.75 CYP2A6 (0.35) DYRK1A
SCHEMBL29613024 0.74 CYP1A1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3013600 0.72 NPC1 (0.44) DYRK1A
SCHEMBL14141472 0.72 CYP1A1 (0.36) DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL506739 0.72 SLC6A2 (0.40) DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL97520 0.72 CYP2A6 (0.37) DYRK1ASLC6A2SLC6A4SLC6A3

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 SIGMAR1 367/4885GABRA1 490/4885GABRG2 1613/4885

“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.