Triaziquone

Triaziquone

SCHEMBL5210683

CN1CCC(CN2CCN(C(=O)CCc3oc(SCc4ccccn4)nc3-c3ccc(Cl)cc3)CC2)CC1.O=C(O)C(F)(F)F.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.35
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
GPR6 P46095 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
MC4R P32245 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
Trifluoroacetic Acid SCHEMBL6611495 0.92 TACR1 (0.39) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5212425 0.88 TACR1 (0.35) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5208749 0.86 TACR1 (0.39) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5211799 0.86 TACR1 (0.36) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5209917 0.85 TACR1 (0.39) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5211670 0.84 TACR1 (0.40) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5212997 0.83 TACR1 (0.36) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5212048 0.83 TACR1 (0.36) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Triaziquone SCHEMBL5213272 0.82 TACR1 (0.37) TACR1CACNA2D1CACNA1BCACNB1CACNA1C
Trifluoroacetic Acid SCHEMBL5212428 0.78 TACR1 (0.40) TACR1CACNA2D1CACNA1BCACNB1CACNA1C

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TACR1 2372/4885CACNA2D1 4406/4885CACNA1B 1842/4885

“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.