SCHEMBL2986641

SCHEMBL2986641

COC(=O)c1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)[nH]c2c1C=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SLC6A2 P23975 1/20 0.36
CNR1 P21554 2/20 0.35
GCGR P47871 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2986643 0.79 RAB9A (0.41) SLC6A3NPC1RAB9AMAPTKDM4E
SCHEMBL2987823 0.78 SLC6A3 (0.34) SLC6A3NPC1RAB9AMAPTKDM4E
SCHEMBL2982698 0.77 KDM4E (0.35) SLC6A3NPC1RAB9AMAPTKDM4E
SCHEMBL3000692 0.76 SLC6A3 (0.40) SLC6A3NPC1RAB9AMAPTKDM4E
SCHEMBL5444125 0.69 PARP1 (0.47) SLC6A3RAB9AMAPT
SCHEMBL5238399 0.69 SLC6A3 (0.37) SLC6A3CNR1GCGRSMN1; SMN2
SCHEMBL2985142 0.68 MCHR1 (0.37) CNR1KMT2A
SCHEMBL2997440 0.68 GCGR (0.40) CNR1GCGRKMT2A
SCHEMBL2288741 0.68 CNR1 (0.37) SLC6A3NPC1RAB9AMAPTKDM4E
SCHEMBL13211556 0.67 RAB9A (0.37) NPC1RAB9AKMT2AL3MBTL1SMN1; SMN2

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 SLC6A3 1224/4885NPC1 1085/4885RAB9A 1953/4885

“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.