SCHEMBL2882561

SCHEMBL2882561

O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])c(F)c2)S1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.68
IGF1R P08069 2/20 0.62
TDP2 O95551 1/20 0.58
CASP7 P55210 1/20 0.58
CASP9 P55211 1/20 0.58
CASP6 P55212 1/20 0.58
CASP8 Q14790 1/20 0.58
PIM1 P11309 3/20 0.57
PIM2 Q9P1W9 3/20 0.57
ESRRA P11474 3/20 0.55
HPGD P15428 2/20 0.54
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
XDH P47989 1/20 0.54
MAPT P10636 2/20 0.54
MCL1 Q07820 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL2882560 1.00 GSK3B (0.68) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL6234802 0.87 GSK3B (0.54) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL6234804 0.87 GSK3B (0.54) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL4852825 0.84 GSK3B (0.81) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL4852830 0.84 GSK3B (0.81) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL9831864 0.81 GSK3B (1.00) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL9831869 0.81 GSK3B (1.00) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL1249114 0.78 TDP1 (0.75) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL4834139 0.78 TDP1 (0.75) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL1249111 0.78 TDP1 (0.75) GSK3BIGF1RTDP2CASP7CASP9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 WO 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 (3 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX GSK3B 2843/4885IGF1R 291/4885TDP2 2762/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 GSK3B 1040/4885IGF1R 3078/4885TDP2 847/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B GSK3B 3188/4885IGF1R 250/4885TDP2 2650/4885

“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.