SCHEMBL4680646

SCHEMBL4680646

O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2-c2cc(CNc3ccon3)on2)CC1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.38
CPT1A P50416 4/20 0.36
CPT2 P23786 2/20 0.36
DRD2 P14416 5/20 0.35
DRD4 P21917 5/20 0.35
DRD3 P35462 5/20 0.35

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
SCHEMBL4684410 0.93 ALDH1A1 (0.37) ENPP2CPT1ACPT2
SCHEMBL4680652 0.89 ENPP2 (0.40) ENPP2CPT1ACPT2DRD2DRD4
SCHEMBL4678381 0.86 IDH1 (0.34) CPT1ACPT2
SCHEMBL4680643 0.86 ENPP2 (0.39) ENPP2CPT1ACPT2
SCHEMBL4686052 0.85 CPT1A (0.37) CPT1ACPT2DRD2
SCHEMBL4787561 0.85 ALDH1A1 (0.34) ENPP2CPT1A
SCHEMBL6400642 0.85 IGF1R (0.34)
SCHEMBL4680812 0.83 CACNA1G (0.34)
SCHEMBL4742825 0.83 CACNA1G (0.33)
SCHEMBL4680654 0.82 ENPP2 (0.48) ENPP2

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 ENPP2 3361/4885CPT1A 322/4885CPT2 674/4885

“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.