SCHEMBL4686141

SCHEMBL4686141

O=C(CS)NCc1cc(-c2ccc(-n3ccnc3)c(F)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
JAK2 O60674 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SUCNR1 Q9BXA5 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.38
EPHX2 P34913 3/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GAA P10253 1/20 0.35
ADH5 P11766 1/20 0.34
NSD2 O96028 1/20 0.33

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 0.88 POLB (0.54) ALDH1A1SMN1; SMN2HTTJAK2L3MBTL1
SCHEMBL4686139 0.85 POLB (0.42) ALDH1A1SMN1; SMN2HTTJAK2L3MBTL1
SCHEMBL4679791 0.78 BLM (0.37) BLMCYP1A2CYP11B1CYP11B2
SCHEMBL4742635 0.76 BLM (0.37) SMN1; SMN2POLBBLMCYP1A2MAPT
SCHEMBL5924402 0.71 KDM1A (0.45) BLM
SCHEMBL19910597 0.69 BLM (0.44) ALDH1A1BLM
SCHEMBL3591952 0.68 POLB (0.72) ALDH1A1SMN1; SMN2HTTJAK2L3MBTL1
SCHEMBL3582354 0.67 POLB (0.54) ALDH1A1SMN1; SMN2HTTJAK2L3MBTL1
SCHEMBL4679789 0.66 BLM (0.35) BLMADH5
SCHEMBL23316549 0.66 BLM (0.46) ALDH1A1BLMMAPT

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 1181/4885SMN1; SMN2 3326/4885HTT 3004/4885

“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.