SCHEMBL4684412

SCHEMBL4684412

O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2)CC1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.42
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
LDHA P00338 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
CXCR1 P25024 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL4680652 0.93 ENPP2 (0.40) ENPP2
SCHEMBL4686055 0.89 CPT1A (0.39) ENPP2MAPTLMNAHTTALDH1A1
SCHEMBL4787564 0.89 ALDH1A1 (0.36) ENPP2MAPTLMNANPC1HTT
SCHEMBL4684410 0.88 ALDH1A1 (0.37) ENPP2MAPTKMT2AMEN1LMNA
SCHEMBL4680817 0.84 SMN1; SMN2 (0.36) ENPP2MAPTLMNAHTTALDH1A1
SCHEMBL4742828 0.84 IGF1R (0.35) ENPP2MAPTLMNAHTTALDH1A1
SCHEMBL4680646 0.82 ENPP2 (0.38) ENPP2
SCHEMBL4787561 0.77 ALDH1A1 (0.34) ENPP2KMT2AMEN1NPC1ALDH1A1
SCHEMBL4684416 0.76 ENPP2 (0.46) ENPP2MAPTKMT2ANPC1LDHA
SCHEMBL6405920 0.76 CYP1A2 (0.37) LMNA

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 3361/4885MAPT 4610/4885KMT2A 3921/4885

“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.