SCHEMBL5451531

SCHEMBL5451531

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC6 Q9UBN7 6/20 0.49
ALPG P10696 1/20 0.48
DAO P14920 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL5460232 0.87 HDAC6 (0.59) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5448449 0.86 THRB (0.48) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5453519 0.86 MEN1 (0.54) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5446344 0.86 L3MBTL1 (0.60) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5458534 0.85 MEN1 (0.60) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5458978 0.83 PPARD (0.51) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL14582444 0.83 ALDH1A1 (0.48) MEN1KMT2ACYP1A2SMN1; SMN2NPC1
SCHEMBL5454441 0.79 HDAC6 (0.46) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL5447769 0.79 HDAC6 (0.50) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL10925899 0.76 MEN1 (0.61) MEN1KMT2ATDP1CYP1A2CYP2C9

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 MEN1 1390/4885KMT2A 3828/4885TDP1 2322/4885

“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.