SCHEMBL4742825

SCHEMBL4742825

O=C(CO)N1CCN(c2ccccc2-c2cc(CNc3ccon3)on2)CC1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.33
CYP2E1 P05181 1/20 0.33
MAOA P21397 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
FAAH O00519 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
DPP4 P27487 1/20 0.30
POLB P06746 1/20 0.30
IGF1R P08069 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
SCHEMBL4680812 0.89 CACNA1G (0.34) CACNA1GCYP2E1MAOAMEN1KMT2A
SCHEMBL6400642 0.88 IGF1R (0.34) CACNA1GCYP2E1MEN1KMT2AIGF1R
SCHEMBL4686094 0.86 IDH1 (0.34) CYP2E1MEN1KMT2ANPC1RECQL
SCHEMBL6405917 0.86 MAPT (0.35) MEN1KMT2AMAPTHTTDPP4
SCHEMBL4742828 0.85 IGF1R (0.35) MAOACYP1A2MAPTHTTPOLB
SCHEMBL4678381 0.85 IDH1 (0.34) MAPTIGF1R
SCHEMBL4787561 0.85 ALDH1A1 (0.34) CACNA1GMEN1KMT2ANPC1
SCHEMBL4682755 0.85 GRM5 (0.39) CACNA1GMEN1KMT2ANPC1MAPT
SCHEMBL4686052 0.85 CPT1A (0.37) MEN1KMT2ANPC1MAPTPOLB
SCHEMBL4684410 0.84 ALDH1A1 (0.37) MEN1KMT2ANPC1MAPTHTT

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 CACNA1G 4345/4885CYP2E1 69/4885MAOA 838/4885

“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.