SCHEMBL2157399

SCHEMBL2157399

COC(=O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1NC(=O)OC(C)(C)C)n2CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.38
BRD4 O60885 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
CHRM3 P20309 8/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PLA2G1B P04054 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
SCHEMBL2998711 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL2157396 0.83 NR1I3 (0.34) BRD4ALDH1A1KDM4ECHRM3HPGD
SCHEMBL2988628 0.82 KDM4E (0.38) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL2156914 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2ALMNAHPGD
SCHEMBL2157334 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL2156282 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL2994395 0.76 KDM4E (0.47) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL4790068 0.76 CYP1A2 (0.40) ALDH1A1KDM4ECHRM3CYP1A2HPGD
SCHEMBL2998707 0.74 KDM4E (0.36) ALDH1A1KDM4EKMT2A
SCHEMBL2996276 0.73 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2ALMNAMEN1

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-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L BRD9 713/4885BRD4 568/4885CNR2 548/4885

“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.