SCHEMBL4680812

SCHEMBL4680812

CC(=O)OCC(=O)N1CCN(c2ccccc2-c2cc(CNc3ccon3)on2)CC1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
APP P05067 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SNCA P37840 1/20 0.33
BRCA1 P38398 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.31
IGF1R P08069 8/20 0.31
CYP2E1 P05181 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
BRD4 O60885 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
SCHEMBL4742825 0.89 CACNA1G (0.33) CACNA1GMEN1KMT2AMAPTMAOA
SCHEMBL6400642 0.88 IGF1R (0.34) CACNA1GMEN1KMT2AIGF1RCYP2E1
SCHEMBL4680817 0.87 SMN1; SMN2 (0.36) MAPTMAOAIGF1RALDH1A1LMNA
SCHEMBL4686094 0.87 IDH1 (0.34) MEN1KMT2ACYP2E1ALDH1A1POLB
SCHEMBL4787561 0.85 ALDH1A1 (0.34) CACNA1GMEN1KMT2AALDH1A1NPC1
SCHEMBL4678381 0.85 IDH1 (0.34) MAPTIGF1RALDH1A1LMNA
SCHEMBL4686052 0.85 CPT1A (0.37) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL4682755 0.85 GRM5 (0.39) CACNA1GMEN1KMT2AMAPTTHRB
SCHEMBL4684410 0.84 ALDH1A1 (0.37) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL4680804 0.84 BRD4 (0.32) MEN1KMT2AMAPTAPPTHRB

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 4345/4885MEN1 3331/4885KMT2A 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.