SCHEMBL3020933

SCHEMBL3020933

O=C(O)NC1CCc2cc(Nc3cc(F)cnc3[N+](=O)[O-])cnc2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL3020927 1.00 HDAC8 (0.31) HDAC8HDAC6
SCHEMBL3016078 0.86 MTNR1A (0.35)
SCHEMBL3016071 0.86 MTNR1A (0.35)
SCHEMBL3020771 0.78 HDAC8 (0.43) HDAC8
SCHEMBL3020769 0.78 HDAC8 (0.43) HDAC8
SCHEMBL3011611 0.73 TXNRD1 (0.37)
SCHEMBL3011621 0.73 TXNRD1 (0.37)
SCHEMBL3020759 0.70 MTNR1A (0.38)
SCHEMBL3009533 0.69 MTNR1A (0.36)
SCHEMBL20722710 0.69 MTNR1A (0.35) HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH HDAC8 610/4885HDAC6 281/4885

“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.