SCHEMBL2867800

SCHEMBL2867800

COC(=O)c1cc2[nH]c(-c3cccc([N+](=O)[O-])c3OCCO)c(-c3ccccc3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.36
PDCD1 Q15116 8/20 0.35
CD274 Q9NZQ7 8/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP10 Q14694 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL2865955 0.90 ALDH1A1 (0.33) FBP1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL2859137 0.85 PDCD1 (0.32) PDCD1CD274ALDH1A1KDM4ECYP1A2
SCHEMBL2867795 0.84 ADRA1B (0.34) PDCD1CD274ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2156447 0.79 RAF1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL2987902 0.76 LMNA (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL2868302 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL2157797 0.73 LMNA (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL2859156 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL2156283 0.71 PTPN1 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2986582 0.71 PTGS2 (0.42) ALDH1A1KDM4ECYP1A2MAPTHPGD

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 2 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-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 FBP1 1777/4885PDCD1 566/4885CD274 746/4885

“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.