SCHEMBL2865950

SCHEMBL2865950

COC(=O)c1cc2[nH]c(-c3cccc([N+](=O)[O-])c3OCCOS(C)(=O)=O)c(C3CCCCC3)c2s1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.32
THRB P10828 3/20 0.32
PPARG P37231 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP10 Q14694 1/20 0.32
HPGD P15428 1/20 0.31
VDR P11473 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
VCAM1 P19320 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC9A1 P19634 1/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL2867795 0.90 ADRA1B (0.34) ADRA1BLMNAPOLBHTTL3MBTL1
SCHEMBL2859135 0.86 ADRA1B (0.32) ADRA1BMEN1KMT2AHPGD
SCHEMBL772060 0.85 HPGD (0.38) THRBPPARGMEN1LMNAPOLB
SCHEMBL2865955 0.84 ALDH1A1 (0.33) ADRA1BMEN1LMNAPOLBMAPT
SCHEMBL13476603 0.77 PDCD1 (0.31)
SCHEMBL2156442 0.75 KDM4E (0.41) ADRA1BMEN1MAPTKMT2AL3MBTL1
SCHEMBL771241 0.75 HPGD (0.41) LMNAPOLBMAPTHTTHPGD
SCHEMBL2859137 0.75 PDCD1 (0.32) ADRA1BPPARGMEN1MAPTKMT2A
SCHEMBL2867800 0.74 FBP1 (0.36) ADRA1BMEN1LMNAPOLBMAPT
SCHEMBL13476653 0.73 CHEK1 (0.30)

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 3 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
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 ADRA1B 3294/4885THRB 2183/4885PPARG 530/4885

“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.