SCHEMBL4787561

SCHEMBL4787561

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CPT1A P50416 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1G O43497 2/20 0.31
ENPP2 Q13822 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4686052 0.90 CPT1A (0.37) ALDH1A1CPT1ANPC1RAB9AMEN1
SCHEMBL4684410 0.89 ALDH1A1 (0.37) ALDH1A1CPT1ANPC1RAB9AENPP2
SCHEMBL4787564 0.88 ALDH1A1 (0.36) ALDH1A1CPT1ANPC1RAB9AENPP2
SCHEMBL4678381 0.87 IDH1 (0.34) ALDH1A1CPT1A
SCHEMBL4680812 0.85 CACNA1G (0.34) ALDH1A1NPC1RAB9ACACNA1GMEN1
SCHEMBL4787558 0.85 ALDH1A1 (0.35) ALDH1A1CPT1AENPP2
SCHEMBL4742825 0.85 CACNA1G (0.33) NPC1CACNA1GMEN1KMT2A
SCHEMBL4686094 0.83 IDH1 (0.34) ALDH1A1NPC1MEN1KMT2A
SCHEMBL4787570 0.81 ALDH1A1 (0.40) ALDH1A1ENPP2MEN1KMT2A
SCHEMBL4683309 0.77 ALDH1A1 (0.42) ALDH1A1ENPP2MEN1KMT2A

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 1181/4885CPT1A 322/4885NPC1 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.