SCHEMBL3000683

SCHEMBL3000683

COc1ccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)N(C)C)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.43
OXTR P30559 1/20 0.39
GRIN1 Q05586 4/20 0.37
PDE5A O76074 3/20 0.36
PDE6A P16499 2/20 0.36
MAP3K8 P41279 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL423331 0.86 TSPO (0.43)
SCHEMBL2997718 0.85 GRIN2B (0.40) GRIN2BGRIN1NPC1LMNA
SCHEMBL2996784 0.83 HSD17B2 (0.42)
SCHEMBL3000679 0.83 PDE5A (0.39) GRIN2BGRIN1PDE5APDE6A
SCHEMBL422946 0.82 SMN1; SMN2 (0.41) GRIN2BMAP3K8
SCHEMBL2987941 0.82 GRIN2B (0.38) GRIN2B
SCHEMBL424913 0.81 NR4A2 (0.46)
SCHEMBL2998268 0.80 GRIN2B (0.35) GRIN2BLMNA
SCHEMBL2988870 0.80 KDM4E (0.40)
SCHEMBL2998704 0.79 GRIN2B (0.42) GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
JP-2007505091-A 2007-03-08 JP claimed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP claimed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO claimed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 WO claimed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT GRIN2B 2535/4885OXTR 3489/4885GRIN1 2089/4885

“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.