SCHEMBL2996475

SCHEMBL2996475

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(Cl)cc1)n2CC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
CDYL2 Q8N8U2 5/20 0.44
CDYL Q9Y232 5/20 0.44
CBX7 O95931 4/20 0.44
CDY1; CDY1B Q9Y6F8 3/20 0.44
ACHE P22303 1/20 0.43
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR3 P51677 1/20 0.39
NPY5R Q15761 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TACR1 P25103 1/20 0.38
L3MBTL3 Q96JM7 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL2996648 0.91 POLB (0.47) POLBGAATSHRCDYL2CDYL
SCHEMBL2996472 0.86 POLB (0.42) POLBGAATSHRCDYL2CDYL
SCHEMBL2997044 0.85 EGFR (0.48) POLBGAATP53MDM2
SCHEMBL4878078 0.81 GAA (0.39) POLBGAATSHRCDYL2CDYL
SCHEMBL4877296 0.81 GAA (0.40) POLBGAATSHRCDYL2CDYL
SCHEMBL4872070 0.80 POLB (0.42) POLBGAATSHRCDYL2CDYL
SCHEMBL4876791 0.80 GAA (0.39) POLBGAATSHRCDYL2CDYL
SCHEMBL5732725 0.80 ACHE (0.43) POLBGAATSHRACHEHTT
Hydrochloric Acid SCHEMBL425039 0.79 ACHE (0.43) POLBGAATSHRACHEHTT
SCHEMBL4868434 0.79 CBX7 (0.42) POLBGAATSHRCDYL2CDYL

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 5 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
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 POLB 2398/4885GAA 1769/4885TSHR 209/4885

“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.