SCHEMBL2990438

SCHEMBL2990438

COc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PDE7B Q9NP56 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
PDE4D Q08499 3/20 0.35
POLB P06746 2/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
LTA4H P09960 1/20 0.35
VDR P11473 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL5233368 0.90 LMNA (0.39) LMNAPDE7BGRIN1GRIN2BL3MBTL1
SCHEMBL424159 0.88 GRIN1 (0.46) GRIN1GRIN2BL3MBTL1POLBGAA
SCHEMBL2997041 0.87 MAPK1 (0.44) LMNAHTTPOLBBRD4GAA
SCHEMBL2996624 0.86 MAPK1 (0.44) GRIN2BPOLBBRD4EGFRTYMS
SCHEMBL2997172 0.85 RAB9A (0.38) GRIN2BMEN1KMT2AEGFRTYMS
SCHEMBL2990441 0.85 GRIN2B (0.42) LMNAGRIN2BL3MBTL1HTTPOLB
SCHEMBL2988730 0.85 MAPK1 (0.43) GRIN2BBRD4EGFRTYMSLTA4H
SCHEMBL2994921 0.84 EGFR (0.42) GRIN1GRIN2BBRD4MEN1KMT2A
SCHEMBL2995703 0.83 ALDH1A1 (0.38) GRIN1GRIN2BBRD4EGFRTYMS
SCHEMBL4872850 0.80 BRD4 (0.39) GRIN1GRIN2BBRD4EGFRTYMS

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 10 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-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 LMNA 3405/4885PDE7B 2487/4885GRIN1 2089/4885

“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.