SCHEMBL2996596

SCHEMBL2996596

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(OCc3ccccc3)cc1)n2CC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
NR4A2 P43354 1/20 0.38
ACHE P22303 1/20 0.38
EGFR P00533 2/20 0.38
PRKDC P78527 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 2/20 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
SCHEMBL5732721 0.90 KDM4E (0.42) KDM4EHTTALDH1A1NR4A2ACHE
SCHEMBL2988730 0.90 MAPK1 (0.43) MAPTKDM4EHPGDHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL425038 0.90 KDM4E (0.41) KDM4EHTTALDH1A1NR4A2ACHE
SCHEMBL5733273 0.90 ACHE (0.47) KDM4ENR4A2ACHECYP2C19NPSR1
SCHEMBL5231149 0.90 GRIN2B (0.39) MAPTKDM4ELMNAHPGDHTT
SCHEMBL427108 0.89 EGFR (0.45) MAPTKDM4EHTTALDH1A1NR4A2
Hydrochloric Acid SCHEMBL423770 0.89 ACHE (0.47) KDM4ENR4A2ACHECYP2C19NPSR1
SCHEMBL424159 0.88 GRIN1 (0.46) KDM4EHPGDHSD17B10ALDH1A1GRIN2B
SCHEMBL2996607 0.86 ALDH1A1 (0.43) MAPTKDM4ELMNAHPGDHTT
SCHEMBL5233008 0.86 ALDH1A1 (0.44) MAPTKDM4ELMNAHPGDHTT

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 13 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
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-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-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 MAPT 4452/4885KDM4E 3250/4885LMNA 3405/4885

“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.