SCHEMBL2156336

SCHEMBL2156336

COC(=O)c1cc2[nH]cc(-c3ccccc3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
NR4A2 P43354 2/20 0.47
NEK1 Q96PY6 1/20 0.44
SGK1 O00141 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
OPRD1 P41143 1/20 0.43
HPGD P15428 5/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CREBBP Q92793 1/20 0.41
AXL P30530 2/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRKCZ Q05513 1/20 0.41
EGFR P00533 1/20 0.41
ALPL P05186 1/20 0.41

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
SCHEMBL2157249 0.87 PRKAB2 (0.44) HTTNR4A2SGK1CAMKK2ALDH1A1
SCHEMBL2156574 0.87 GRM6 (0.41) HTTNR4A2NEK1SGK1CAMKK2
SCHEMBL30990255 0.76 HPGD (0.40) NR4A2ALDH1A1MAPTLMNAOPRD1
SCHEMBL15697494 0.75 ALDH1A1 (0.54) ALDH1A1MAPTLMNAOPRD1HPGD
SCHEMBL18108571 0.75 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL2987902 0.75 LMNA (0.45) NR4A2ALDH1A1MAPTLMNAHPGD
SCHEMBL12396903 0.74 OPRD1 (0.73) HTTALDH1A1MAPTLMNAOPRD1
SCHEMBL2156359 0.74 LMNA (0.44) NR4A2ALDH1A1MAPTLMNAHPGD
SCHEMBL2156331 0.74 KDM4E (0.36) ALDH1A1MAPTOPRD1HPGDKDM4E
SCHEMBL6928117 0.73 PLAU (0.61) HTTALDH1A1MAPTLMNAOPRD1

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 5 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-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-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 HTT 2099/4885NR4A2 3055/4885NEK1 2551/4885
US-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L HTT 2028/4885NR4A2 298/4885NEK1 1803/4885

“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.