SCHEMBL5454441

SCHEMBL5454441

O=C(NO)c1cc(CSc2cccc(Br)c2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.46
HDAC1 Q13547 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALPG P10696 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL5446344 0.86 L3MBTL1 (0.60) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5456148 0.83 ALDH1A1 (0.53) HDAC6SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5460232 0.80 HDAC6 (0.59) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5451531 0.79 MEN1 (0.56) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5453519 0.79 MEN1 (0.54) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5448449 0.79 THRB (0.48) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5452480 0.78 HDAC6 (0.50) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5458978 0.76 PPARD (0.51) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL14582444 0.76 ALDH1A1 (0.48) HDAC6HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL5447769 0.74 HDAC6 (0.50) HDAC6HDAC1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US claimed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP claimed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 WO claimed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP disclosed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 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-20070043062-A1 Isoxazoles as peptide deformylase inhibitors PDF, MRPL21, PEPD HDAC6 184/4885HDAC1 2298/4885SMN1; SMN2 3017/4885

“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.