SCHEMBL5382894

SCHEMBL5382894

C=Cc1sc(CNCCCNc2nc3ncccc3[nH]2)c(C)c1Br

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.48
PDE5A O76074 1/20 0.32
BCHE P06276 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC4 Q9UBN4 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
AURKB Q96GD4 1/20 0.31

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
SCHEMBL5381623 0.88 SLC2A1 (0.51) SLC2A1PDE5ABCHETRPC3TRPC4
SCHEMBL5376689 0.87 SLC2A1 (0.36) SLC2A1
Hydrochloric Acid SCHEMBL6034472 0.86 SLC2A1 (0.35) SLC2A1
SCHEMBL5668206 0.85 SLC2A1 (0.49) SLC2A1PDE5ABCHETRPC3TRPC4
Hydrochloric Acid SCHEMBL5374902 0.84 SLC2A1 (0.49) SLC2A1PDE5A
SCHEMBL6034753 0.84 SLC2A1 (0.48) SLC2A1PDE5ABCHETRPC3TRPC4
SCHEMBL5376763 0.84 SLC2A1 (0.48) SLC2A1PDE5ABCHETRPC3TRPC4
Hydrochloric Acid SCHEMBL5389253 0.83 SLC2A1 (0.47) SLC2A1AURKB
Hydrochloric Acid SCHEMBL5385507 0.83 SLC2A1 (0.47) SLC2A1PDE5ABCHETRPC3TRPC4
SCHEMBL5379179 0.82 SLC2A1 (0.38) SLC2A1BCHETRPC3TRPC4TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US claimed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US claimed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US claimed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US claimed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US claimed
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 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 (3 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 SLC2A1 3689/4885PDE5A 3619/4885BCHE 2921/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 SLC2A1 2998/4885PDE5A 4810/4885BCHE 1927/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 SLC2A1 3868/4885PDE5A 3579/4885BCHE 2752/4885

“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.