SCHEMBL4684196

SCHEMBL4684196

C1#COC1.CC(=O)N1CCN(c2c(F)cccc2-c2cc(CNc3ccon3)on2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
ACHE P22303 2/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
IGF1R P08069 1/20 0.33
GFER P55789 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ENPP2 Q13822 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN8A Q9UQD0 2/20 0.32
JAK3 P52333 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAOA P21397 1/20 0.32
CNR2 P34972 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL4742831 0.86 NPC1 (0.38) NPC1RAB9ATP53MAPTSCN1A
SCHEMBL6405927 0.81 POLB (0.42) BDKRB1NPC1MEN1KMT2AMAPT
SCHEMBL6400646 0.80 KDM4E (0.35) BDKRB1NPC1MEN1KMT2AIGF1R
SCHEMBL4686096 0.79 POLB (0.38) NPC1MAPT
SCHEMBL4787570 0.78 ALDH1A1 (0.40) MEN1KMT2AMAPTENPP2
SCHEMBL4686057 0.78 SMN1; SMN2 (0.37) MEN1KMT2AMAPTENPP2
SCHEMBL4678388 0.78 KDM4E (0.36) BDKRB1ENPP2
SCHEMBL4684416 0.77 ENPP2 (0.46) NPC1RAB9AKMT2AMAPTENPP2
SCHEMBL4738996 0.71 IGF1R (0.30) IGF1R
SCHEMBL4682699 0.68 GAA (0.38) KMT2ATP53MAPTENPP2L3MBTL1

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 BDKRB1 2236/4885ACHE 3330/4885NPC1 1710/4885

“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.