SCHEMBL5286547

SCHEMBL5286547

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1csc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
HPGDS O60760 3/20 0.51
LMNA P02545 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 1/20 0.45

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
SCHEMBL12279458 0.81 MAOA (0.65) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL786691 0.78 HDAC1 (0.57) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL27696571 0.78 HDAC1 (0.60) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL5285087 0.77 ALDH1A1 (0.57) LMNAALDH1A1MAPTATMHPGD
SCHEMBL2080725 0.77 RAB9A (0.68) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1683652 0.77 EGFR (0.57) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL1574742 0.76 HDAC1 (0.66) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL6645737 0.76 CYP19A1 (0.39) HDAC6TDP1HPGDSALDH1A1MAPT
SCHEMBL352152 0.75 HPGDS (0.73) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL27768678 0.75 HDAC1 (0.70) HDAC1HDAC8HDAC6TDP1HPGDS

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HDAC1 2670/4885HDAC8 1569/4885HDAC6 1262/4885

“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.