SCHEMBL2989200

SCHEMBL2989200

CN1CCC(N(C)C(=O)Cn2c(-c3ccc(Cl)cc3)c(-c3ccccc3)c3sc(C(=O)O)cc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CCR5 P51681 5/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 3/20 0.38
TACR1 P25103 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 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
SCHEMBL2988692 0.88 MCHR1 (0.42) CCR5MCHR1TACR1
SCHEMBL2989195 0.86 CNR1 (0.38) POLBCCR5LMNAL3MBTL1MCHR1
SCHEMBL2987941 0.85 GRIN2B (0.38) TACR1
SCHEMBL2998895 0.84 KMT2A (0.38) TACR1KMT2A
SCHEMBL4872064 0.80 KCNH2 (0.37) POLBLMNAL3MBTL1MCHR1CCNC
SCHEMBL4866852 0.79 KCNH2 (0.37) POLBLMNAL3MBTL1MCHR1CCNC
SCHEMBL2997718 0.78 GRIN2B (0.40) LMNA
SCHEMBL5231631 0.78 CHRNB2 (0.38) KMT2A
SCHEMBL2998704 0.76 GRIN2B (0.42)
SCHEMBL2995119 0.75 HRH3 (0.38) CCR5MCHR1

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 7 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
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
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP disclosed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 WO 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 2398/4885CCR5 157/4885LMNA 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.