SCHEMBL4686139

SCHEMBL4686139

CC(=S)NCc1cc(-c2ccc(-n3ccnc3)c(F)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
JAK2 O60674 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
SUCNR1 Q9BXA5 2/20 0.36
EPHX2 P34913 3/20 0.36
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL4684193 0.91 POLB (0.54) POLBSMN1; SMN2CYP1A2BLMCYP11B1
SCHEMBL4686141 0.85 ALDH1A1 (0.43) POLBSMN1; SMN2CYP1A2BLMCYP11B1
SCHEMBL4679791 0.80 BLM (0.37) CYP1A2BLMCYP11B1CYP11B2GABRG2
SCHEMBL4742635 0.80 BLM (0.37) POLBSMN1; SMN2CYP1A2BLMCYP11B1
SCHEMBL3591952 0.69 POLB (0.72) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL5924396 0.69 KDM1A (0.47) BLM
SCHEMBL3582354 0.69 POLB (0.54) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL4679789 0.68 BLM (0.35) BLM
SCHEMBL18069354 0.68 BLM (0.46) BLMALDH1A1MAPT
SCHEMBL14066488 0.65 PSEN1 (0.43)

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 POLB 1162/4885SMN1; SMN2 3326/4885CYP1A2 102/4885

“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.