SCHEMBL2863602

SCHEMBL2863602

COC(=O)c1cc2[nH]cc(C3CCCCC3)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 1/20 0.36
KDR P35968 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
PTGDR Q13258 1/20 0.34
HTR1A P08908 3/20 0.34
HTR1F P30939 3/20 0.34

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
SCHEMBL2156568 0.88 MTNR1A (0.32) KDM4EMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL14269799 0.87 HTR1A (0.32) MTNR1AMTNR1BHTR1AHTR1FHTR1D
SCHEMBL2157243 0.87 GPR35 (0.38) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL2156623 0.84 HPGD (0.38) HPGDKDM4ENPC1RAB9AMAPK1
SCHEMBL2157682 0.83 KDM4E (0.37) HPGDKDM4ENPC1RAB9AMAPK1
SCHEMBL2156348 0.75 CSNK2A2 (0.35) HPGDKDM4ENPC1RAB9AMAPK1
SCHEMBL30990255 0.74 HPGD (0.40) HPGDKDM4ENPC1RAB9AMAPK1
SCHEMBL2988714 0.73 SCN9A (0.41) HPGDKDM4ENPC1RAB9AMAPK1
SCHEMBL51234 0.72 NPC1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL13476602 0.72 EPHX2 (0.31)

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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HPGD 1292/4885KDM4E 1949/4885NPC1 2385/4885

“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.