SCHEMBL2996607

SCHEMBL2996607

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3ccccc3)cc1)n2CC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR4A2 P43354 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS2 P35354 1/20 0.41
GRIN2B Q13224 2/20 0.41
EGFR P00533 3/20 0.41
PRKDC P78527 1/20 0.41
TYMS P04818 1/20 0.41
LTA4H P09960 1/20 0.41
VDR P11473 1/20 0.41
SRC P12931 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL2988735 0.89 MAPK1 (0.49) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL424160 0.89 PTGS2 (0.48) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL427109 0.88 EGFR (0.50) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL2996596 0.86 MAPT (0.40) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL2996625 0.86 MAPK1 (0.48) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2997044 0.86 EGFR (0.48) ALDH1A1MAPTLMNAHSD17B10PTGS2
SCHEMBL5732725 0.86 ACHE (0.43) ALDH1A1KDM4EHTTNR4A2SMN1; SMN2
Hydrochloric Acid SCHEMBL425039 0.85 ACHE (0.43) ALDH1A1KDM4EHTTNR4A2SMN1; SMN2
SCHEMBL2995706 0.84 PTGS2 (0.44) ALDH1A1MAPTKDM4EHPGDHTT
Hydrochloric Acid SCHEMBL422459 0.84 MAPT (0.53) ALDH1A1MAPTKDM4ELMNAHTT

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-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-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 ALDH1A1 397/4885MAPT 4452/4885KDM4E 3250/4885

“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.