SCHEMBL2989761

SCHEMBL2989761

CN(C)Cc1cccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TSPO P30536 2/20 0.36
GRIN2B Q13224 3/20 0.35
POLB P06746 1/20 0.34
AVPR1B P47901 1/20 0.34
HTR7 P34969 1/20 0.34
TP53 P04637 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL2997718 0.89 GRIN2B (0.40) TSPOGRIN2B
SCHEMBL2998704 0.86 GRIN2B (0.42) AOC3TSPOGRIN2BTP53
SCHEMBL3000877 0.84 TRIM24 (0.36) GRIN2B
SCHEMBL2996784 0.84 HSD17B2 (0.42) HSD17B1HSD17B2TSPO
SCHEMBL2989758 0.84 AVPR1B (0.34) AOC3TSPOGRIN2BAVPR1BEGFR
SCHEMBL2987941 0.83 GRIN2B (0.38) GRIN2B
SCHEMBL424913 0.82 NR4A2 (0.46) EGFR
SCHEMBL423331 0.81 TSPO (0.43) HSD17B2TSPOPOLBTP53
SCHEMBL2994236 0.81 GRIN2B (0.35) GRIN2B
SCHEMBL422946 0.81 SMN1; SMN2 (0.41) TSPOGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US claimed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP 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 AOC3 602/4885HSD17B1 1167/4885HSD17B2 1785/4885

“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.