SCHEMBL3000692

SCHEMBL3000692

COC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3)c(C3CCCCC3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.40
SLC6A2 P23975 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GCGR P47871 1/20 0.37
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX5 P09917 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2987900 0.89 HTR2A (0.39) SLC6A3NR1H4KDM4EALDH1A1HPGD
SCHEMBL2997440 0.89 GCGR (0.40) CNR1GCGRPTGDRPTGDR2
SCHEMBL2995078 0.88 HTR2A (0.39) SLC6A3KDM4EALDH1A1HPGD
SCHEMBL5238399 0.83 SLC6A3 (0.37) SLC6A3CNR1GCGRPTGDRPTGDR2
SCHEMBL2156442 0.80 KDM4E (0.41) NR1H4MAPTKDM4ENPC1RAB9A
SCHEMBL2156348 0.80 CSNK2A2 (0.35) NR1H4KDM4ENPC1RAB9AALDH1A1
SCHEMBL2868300 0.79 KDM4E (0.41) NR1H4MAPTKDM4ERAB9AALDH1A1
SCHEMBL5444125 0.79 PARP1 (0.47) SLC6A3MAPTRAB9AALDH1A1HPGD
SCHEMBL2995670 0.78 HTR2A (0.42)
SCHEMBL13211532 0.78 PTGS1 (0.46) MAPTGCGRPTGDRPTGDR2

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 4 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
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 SLC6A3 1224/4885SLC6A2 1750/4885NR1H4 135/4885

“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.