SCHEMBL2985142

SCHEMBL2985142

COC(=O)c1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N(C)C3CCN(C(C)C)C3)c2c1C=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.37
HRH3 Q9Y5N1 3/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PYGL P06737 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL2985148 0.87 MCHR1 (0.37) MCHR1HRH3PYGL
SCHEMBL2991824 0.83 MCHR1 (0.36) MCHR1HRH3
SCHEMBL2982698 0.82 KDM4E (0.35) MEN1KMT2ACNR1
SCHEMBL5228399 0.82 MCHR1 (0.35) MCHR1HRH3
SCHEMBL2987823 0.80 SLC6A3 (0.34) MEN1KMT2ACNR1
SCHEMBL2988690 0.80 MCHR1 (0.41) MCHR1HRH3TLR9TLR8TLR7
SCHEMBL5231883 0.79 MCHR1 (0.40) MCHR1HRH3TLR9TLR8TLR7
SCHEMBL2991825 0.71 MCHR1 (0.37) MCHR1HRH3
SCHEMBL2995117 0.69 HRH3 (0.33) MCHR1HRH3TLR9TLR8TLR7
SCHEMBL5231280 0.69 HRH3 (0.32) MCHR1HRH3TLR9TLR8TLR7

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 3 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 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 MCHR1 2771/4885HRH3 1724/4885TLR9 997/4885

“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.