SCHEMBL2157243

SCHEMBL2157243

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
RAB9A P51151 1/20 0.35
KMO O15229 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HSD11B1 P28845 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CAMKK2 Q96RR4 3/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK9 P50750 1/20 0.33
HTR1A P08908 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
SCHEMBL2863602 0.87 HPGD (0.37) RAB9AALDH1A1HTR1AHTR1FKDM4E
SCHEMBL14269799 0.84 HTR1A (0.32) HSD11B1CCNE1CDK2CCNT1CDK1
SCHEMBL2156623 0.70 HPGD (0.38) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL16408718 0.70 GPR35 (0.46) GPR35DAOALDH1A1MAPTKDM4E
SCHEMBL2157682 0.70 KDM4E (0.37) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL2995670 0.69 HTR2A (0.42) CDK2CDK1CCNA2
SCHEMBL1173806 0.69 KMO (0.47) KMOHSD11B1ALDH1A1MAPTBLM
SCHEMBL13476602 0.68 EPHX2 (0.31)
SCHEMBL2997440 0.67 GCGR (0.40) MEN1KMT2A
SCHEMBL1173489 0.67 KMO (0.44) KMOALDH1A1CAMKK2MAPTBLM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
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-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 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
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 (3 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 GPR35 4233/4885RAB9A 3278/4885KMO 3248/4885
US-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L GPR35 3096/4885RAB9A 1606/4885KMO 3407/4885
US-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT GPR35 3581/4885RAB9A 1953/4885KMO 3015/4885

“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.