SCHEMBL4686047

SCHEMBL4686047

N#Cc1ccc(OCC(=O)N2CCN(c3ccccc3-c3cc(C(N)c4ccon4)on3)CC2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 12/20 0.37
CPT2 P23786 7/20 0.37
CPT1B Q92523 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 4/20 0.32
HTR1D P28221 1/20 0.32
DRD2 P14416 3/20 0.32
HTR7 P34969 3/20 0.32
HTR6 P50406 3/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
SCN7A Q01118 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4787558 0.90 ALDH1A1 (0.35) CPT1ACPT2
SCHEMBL4678379 0.87 CPT1A (0.34) CPT1ACPT2CPT1BMAPT
SCHEMBL6400638 0.87 HCRTR2 (0.31) CPT1ACPT2
SCHEMBL4686052 0.85 CPT1A (0.37) CPT1ACPT2CPT1BMAPTSMN1; SMN2
SCHEMBL4680643 0.85 ENPP2 (0.39) CPT1ACPT2
SCHEMBL6405908 0.76 MAPT (0.36) MAPTSMN1; SMN2L3MBTL1
SCHEMBL4686055 0.73 CPT1A (0.39) CPT1ACPT2MAPTSMN1; SMN2
SCHEMBL4678381 0.72 IDH1 (0.34) CPT1ACPT2CPT1BMAPTSMN1; SMN2
SCHEMBL6400642 0.72 IGF1R (0.34)
SCHEMBL4680646 0.70 ENPP2 (0.38) CPT1ACPT2DRD2

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 CPT1A 322/4885CPT2 674/4885CPT1B 1016/4885

“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.