SCHEMBL4680804

SCHEMBL4680804

CC(=O)OCC(=O)N1CCN(c2ccccc2-c2cc(C(N)c3ccon3)on2)CC1F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
MEN1 O00255 1/20 0.30
APP P05067 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SNCA P37840 1/20 0.30
BRCA1 P38398 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6400638 0.88 HCRTR2 (0.31)
SCHEMBL4684407 0.84 MC4R (0.37) MAPTMAPK1KMT2ANPSR1
SCHEMBL4680812 0.84 CACNA1G (0.34) BRD4SMARCA2SMARCA4PBRM1MEN1
SCHEMBL6405908 0.80 MAPT (0.36) MEN1MAPTKMT2AL3MBTL1
SCHEMBL6400642 0.72 IGF1R (0.34) MEN1KMT2A
SCHEMBL4742825 0.72 CACNA1G (0.33) MEN1MAPTKMT2A
SCHEMBL4680817 0.70 SMN1; SMN2 (0.36) MAPT
SCHEMBL4787561 0.70 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL4684410 0.69 ALDH1A1 (0.37) MEN1MAPTMAPK1KMT2ANPSR1
SCHEMBL4680646 0.68 ENPP2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437349-B9 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2008-09-10 EP disclosed
EP-1437349-B1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2007-08-15 EP disclosed
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 US disclosed
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 EP 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-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 BRD4 880/4885SMARCA2 2604/4885SMARCA4 1798/4885

“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.