SCHEMBL5458978

SCHEMBL5458978

O=C(NO)c1cc(CSc2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.51
HDAC6 Q9UBN7 6/20 0.45
P2RY14 Q15391 2/20 0.42
PPARA Q07869 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL5448449 0.86 THRB (0.48) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5445311 0.86 PPARD (0.53) PPARDP2RY14PPARANPC1LMNA
SCHEMBL5453519 0.83 MEN1 (0.54) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5451531 0.83 MEN1 (0.56) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL14582444 0.80 ALDH1A1 (0.48) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5460232 0.79 HDAC6 (0.59) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5458916 0.78 HDAC6 (0.46) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL20524122 0.77 HDAC6 (0.73) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5454496 0.76 HDAC6 (0.47) HDAC6LMNARAB9AHDAC1HDAC8
SCHEMBL5454441 0.76 HDAC6 (0.46) HDAC6NPC1LMNARAB9ASMN1; SMN2

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 PPARD 998/4885HDAC6 184/4885P2RY14 2690/4885

“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.