SCHEMBL4686052

SCHEMBL4686052

N#Cc1ccc(OCC(=O)N2CCN(c3ccccc3-c3cc(CNc4ccon4)on3)CC2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 8/20 0.37
CPT2 P23786 5/20 0.37
HTR1A P08908 4/20 0.33
DRD2 P14416 4/20 0.33
HTR7 P34969 4/20 0.33
HTR6 P50406 4/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CPT1B Q92523 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NPC1 O15118 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
SCHEMBL4787561 0.90 ALDH1A1 (0.34) CPT1AMEN1KMT2AALDH1A1NPC1
SCHEMBL4684410 0.89 ALDH1A1 (0.37) CPT1ACPT2MAPTMEN1KMT2A
SCHEMBL4686055 0.88 CPT1A (0.39) CPT1ACPT2MAPTSMN1; SMN2ALDH1A1
SCHEMBL4678381 0.87 IDH1 (0.34) CPT1ACPT2MAPTSMN1; SMN2CPT1B
SCHEMBL6400642 0.87 IGF1R (0.34) MEN1KMT2A
SCHEMBL4680812 0.85 CACNA1G (0.34) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4686047 0.85 CPT1A (0.37) CPT1ACPT2HTR1ADRD2HTR7
SCHEMBL4742825 0.85 CACNA1G (0.33) MAPTMEN1KMT2APOLBNPC1
SCHEMBL4680646 0.85 ENPP2 (0.38) CPT1ACPT2DRD2
SCHEMBL4682755 0.83 GRM5 (0.39) HTR1AHTR7MAPTMEN1KMT2A

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 674/4885HTR1A 2962/4885

“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.