SCHEMBL4684254

SCHEMBL4684254

O=C(Cn1cncn1)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.36
KDR P35968 1/20 0.32
SYK P43405 1/20 0.32
GRM5 P41594 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2B P29275 1/20 0.32
ENPP2 Q13822 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
NPY2R P49146 1/20 0.32
CYP19A1 P11511 1/20 0.32
HPGD P15428 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL1383599 0.88 GFER (0.38) ALDH1A1MAPTPOLBGAAKDR
SCHEMBL6401628 0.86 GAA (0.40) ALDH1A1MAPTPOLBGAAKDR
SCHEMBL4682699 0.86 GAA (0.38) ALDH1A1MAPTPOLBGAAKDR
SCHEMBL4784687 0.81 SMN1; SMN2 (0.45) ALDH1A1MAPTPOLBGAAGRM5
SCHEMBL3591482 0.78 IGF1R (0.40) KDRSYKDRD2DRD4DRD3
SCHEMBL4686137 0.76 SMN1; SMN2 (0.40) ALDH1A1MAPTPOLBGAAKDR
SCHEMBL4679791 0.72 BLM (0.37)
SCHEMBL3582885 0.71 IGF1R (0.46) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL4683309 0.71 ALDH1A1 (0.42) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL6446487 0.69 GAA (0.36) ALDH1A1MAPTPOLBGAAGRM5

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 ALDH1A1 1181/4885MAPT 4610/4885POLB 1162/4885

“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.