SCHEMBL5456148

SCHEMBL5456148

COc1cccc(SCc2cc(C(=O)NO)no2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.49
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5451857 0.87 ALDH1A1 (0.55) ALDH1A1LMNAMTNR1AMTNR1BCYP2C19
SCHEMBL14582444 0.87 ALDH1A1 (0.48) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5454441 0.83 HDAC6 (0.46) LMNACYP2C19CYP2C9NPC1RAB9A
SCHEMBL5446344 0.82 L3MBTL1 (0.60) ALDH1A1LMNACYP2C19CYP2C9NPC1
SCHEMBL5453519 0.78 MEN1 (0.54) ALDH1A1LMNACYP2C19CYP2C9NPC1
SCHEMBL5451039 0.76 NPC1 (0.53) ALDH1A1LMNACYP2C19NPC1RAB9A
SCHEMBL5460232 0.76 HDAC6 (0.59) LMNACYP2C19CYP2C9NPC1RAB9A
SCHEMBL5451531 0.75 MEN1 (0.56) ALDH1A1LMNACYP2C19CYP2C9NPC1
SCHEMBL5448449 0.75 THRB (0.48) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL5445324 0.73 ALDH1A1 (0.55) ALDH1A1LMNAMTNR1AMTNR1BCYP2C19

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 ALDH1A1 1786/4885LMNA 2510/4885MTNR1A 4342/4885

“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.