SCHEMBL2867703

SCHEMBL2867703

O=C(O)c1cc2[nH]cc(C3=CCCCC3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
ALDH1A1 P00352 2/20 0.37
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
GPR35 Q9HC97 1/20 0.35
DAO P14920 1/20 0.34
SERPINE1 P05121 1/20 0.33
CLCN2 P51788 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
GRM2 Q14416 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL2156331 0.88 KDM4E (0.36) ALDH1A1CCNE1CDK2CLK1DYRK1A
SCHEMBL389548 0.71 PTPN1 (0.47) ACMSDALDH1A1CCNE1CDK2SERPINE1
SCHEMBL16408718 0.67 GPR35 (0.46) ALDH1A1GPR35DAOKDM4E
Cyclohexanone SCHEMBL3244111 0.67 PTPN1 (0.46) ACMSDALDH1A1CCNE1CDK2SERPINE1
SCHEMBL1174476 0.67 PTPN1 (0.48) ACMSDALDH1A1GRM2KDM4EHPGD
SCHEMBL2157243 0.66 GPR35 (0.38) ACMSDALDH1A1CCNE1CDK2GPR35
SCHEMBL394705 0.65 ASH1L (0.52)
SCHEMBL6413095 0.64 KMT2A (0.44) ACMSDALDH1A1DAOKDM4EHPGD
SCHEMBL6296691 0.62 DRD2 (0.60) ALDH1A1CCNE1CDK2KDM4ELMNA
Bicarbonate SCHEMBL10962051 0.62 ACMSD (0.49) ACMSDALDH1A1CLCN2

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 7 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-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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 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
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 (2 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 ACMSD 3669/4885ALDH1A1 351/4885CCNE1 1343/4885
US-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT ACMSD 3794/4885ALDH1A1 397/4885CCNE1 173/4885

“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.