SCHEMBL2997420

SCHEMBL2997420

Cn1c(-c2ccc(Cl)cc2)c(C2CCCCC2)c2sc(C(=O)O)c(CN3CCN(S(C)(=O)=O)CC3)c21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TACR1 P25103 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA1 P30542 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 3/20 0.33
MCHR1 Q99705 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2998567 0.91 TACR1 (0.37) MEN1KMT2AALDH1A1TACR1ADORA1
SCHEMBL3001005 0.91 MEN1 (0.36) MEN1KMT2AALDH1A1TACR1KDM4E
SCHEMBL5227454 0.89 ALDH1A1 (0.34) MEN1TSHRKMT2AALDH1A1TACR1
SCHEMBL2986510 0.84 EGFR (0.39) KMT2AALDH1A1TACR1
SCHEMBL2996688 0.84 MMP2 (0.35) TACR1CNR1
SCHEMBL2997421 0.83 BCL2L1 (0.40) MEN1TSHRKMT2AALDH1A1TACR1
SCHEMBL2997212 0.83 CNR1 (0.37) TACR1CNR1
SCHEMBL5233254 0.79 TACR1 (0.36) MEN1KMT2AALDH1A1TACR1KDM4E
SCHEMBL5231069 0.79 LSS (0.36) MEN1KMT2AALDH1A1TACR1KDM4E
SCHEMBL27642571 0.78 TACR1 (0.35) TACR1CNR1

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 12 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
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN 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
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN 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 MEN1 3956/4885TSHR 209/4885KMT2A 3970/4885

“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.