SCHEMBL2985148

SCHEMBL2985148

COC(=O)c1sc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)n(CC(=O)N(C)C3CCN(C(C)C)C3)c2c1C=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
HRH3 Q9Y5N1 5/20 0.35
CCR5 P51681 3/20 0.33
PYGL P06737 1/20 0.33
WNK1 Q9H4A3 1/20 0.33
CHRM3 P20309 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
UBE2M P61081 2/20 0.32
DCUN1D1 Q96GG9 2/20 0.32
KCNH2 Q12809 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
SCHEMBL2985142 0.87 MCHR1 (0.37) MCHR1HRH3PYGL
SCHEMBL2991825 0.84 MCHR1 (0.37) MCHR1HRH3CCR5UBE2MDCUN1D1
SCHEMBL2988692 0.81 MCHR1 (0.42) MCHR1HRH3CCR5KCNH2
SCHEMBL2982702 0.80 KDM4E (0.39) PLA2G1BATG4B
SCHEMBL2991824 0.72 MCHR1 (0.36) MCHR1HRH3CCR5
SCHEMBL5228399 0.70 MCHR1 (0.35) MCHR1HRH3CCR5
SCHEMBL2982698 0.69 KDM4E (0.35) PLA2G1BATG4B
SCHEMBL2995119 0.69 HRH3 (0.38) MCHR1HRH3CCR5KCNH2
SCHEMBL2988690 0.69 MCHR1 (0.41) MCHR1HRH3CCR5KCNH2
SCHEMBL2989200 0.69 POLB (0.42) MCHR1CCR5

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 1724/4885CCR5 157/4885

“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.