SCHEMBL2859137

SCHEMBL2859137

COC(=O)c1cc2[nH]c(-c3cccc([N+](=O)[O-])c3OCCOC3CCCCO3)c(-c3ccccc3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ADRA1B P35368 1/20 0.31
PPARG P37231 1/20 0.31
KDM4E B2RXH2 3/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL2859135 0.89 ADRA1B (0.32) MEN1KMT2AADRA1BHPGD
SCHEMBL2867800 0.85 FBP1 (0.36) PDCD1CD274MEN1KMT2AADRA1B
SCHEMBL2865955 0.82 ALDH1A1 (0.33) MEN1KMT2AADRA1BKDM4ECYP2D6
SCHEMBL2867795 0.78 ADRA1B (0.34) PDCD1CD274ADRA1BKDM4EALDH1A1
SCHEMBL772106 0.77 HPGD (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13476653 0.77 CHEK1 (0.30)
SCHEMBL2156447 0.70 RAF1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2156283 0.70 PTPN1 (0.37) MEN1KMT2AADRA1BKDM4EALDH1A1
SCHEMBL12510203 0.70 KDM4C (0.30)
SCHEMBL2987902 0.68 LMNA (0.45) MEN1KMT2AKDM4EALDH1A1MAPT

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 PDCD1 566/4885CD274 746/4885MEN1 4852/4885

“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.