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.

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