SCHEMBL2996646

SCHEMBL2996646

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(F)cc1)n2CC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CDYL2 Q8N8U2 4/20 0.41
CDYL Q9Y232 4/20 0.41
CBX7 O95931 3/20 0.41
CDY1; CDY1B Q9Y6F8 2/20 0.41
ACHE P22303 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 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
SCHEMBL2996472 0.92 POLB (0.42) GAAPOLBTSHRL3MBTL1CDYL2
SCHEMBL4877285 0.89 MAPT (0.36) GAAPOLBTSHRL3MBTL1KDM4E
SCHEMBL5232441 0.88 GAA (0.40) GAAPOLBTSHRL3MBTL1KDM4E
SCHEMBL2996648 0.86 POLB (0.47) GAAPOLBTSHRL3MBTL1KDM4E
SCHEMBL5733273 0.86 ACHE (0.47) GAAPOLBTSHRKDM4ECDYL2
Hydrochloric Acid SCHEMBL423770 0.85 ACHE (0.47) GAAPOLBTSHRKDM4ECDYL2
SCHEMBL4876782 0.84 GAA (0.37) GAAPOLBTSHRALDH1A1KMT2A
SCHEMBL4878071 0.83 TP53 (0.35) GAAPOLBTSHRKDM4EALDH1A1
SCHEMBL4877463 0.83 GAA (0.36) GAAPOLBTSHRMEN1ALDH1A1
SCHEMBL13211534 0.81 CYP2D6 (0.39) GRIN2BCYP2D6HRH1

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 9 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-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
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
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 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 GAA 1769/4885POLB 2398/4885TSHR 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.