SCHEMBL5745653

SCHEMBL5745653

O=C1CCSc2ccc(CO)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL10075537 0.85 HDAC1 (0.53) HDAC1HDAC8HDAC6TP53KMT2A
SCHEMBL2924903 0.84 HTT (0.59) KMT2ALMNAHTTPOLBALDH1A1
SCHEMBL5507140 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC6TP53KMT2A
SCHEMBL8853550 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC6TP53KMT2A
SCHEMBL5638460 0.76 KMT2A (0.62) HDAC1HDAC8HDAC6TP53KMT2A
SCHEMBL5311151 0.76 HTT (0.73) HDAC1HDAC8HDAC6TP53KMT2A
SCHEMBL3921625 0.75 TP53 (0.60) HDAC1HDAC8HDAC6TP53KMT2A
SCHEMBL2221081 0.74 CA9 (0.57) CRBN
SCHEMBL29754234 0.74 CA9 (0.57) CRBN
SCHEMBL3328663 0.74 HDAC1 (0.55) HDAC1HDAC8HDAC6TP53KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG HDAC1 1372/4885HDAC8 2292/4885HDAC6 836/4885

“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.