SCHEMBL2882683

SCHEMBL2882683

CCNc1cc(/C=C2\SC(=O)NC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.60
IGF1R P08069 2/20 0.55
ESRRA P11474 5/20 0.52
HPGD P15428 4/20 0.52
TDP2 O95551 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
MAPT P10636 2/20 0.51
MCL1 Q07820 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GFER P55789 1/20 0.51
PIM1 P11309 1/20 0.50

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
SCHEMBL2882685 1.00 GSK3B (0.60) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL6234802 0.94 GSK3B (0.54) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL6234804 0.94 GSK3B (0.54) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL2880421 0.81 PIM1 (0.55) GSK3BIGF1RHPGDPIM1PIM2
SCHEMBL2880397 0.81 PIM1 (0.55) GSK3BIGF1RHPGDPIM1PIM2
SCHEMBL2882561 0.78 GSK3B (0.68) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL4852830 0.78 GSK3B (0.81) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL4852825 0.78 GSK3B (0.81) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL2882560 0.78 GSK3B (0.68) GSK3BIGF1RESRRAHPGDTDP2
SCHEMBL9831864 0.75 GSK3B (1.00) GSK3BIGF1RESRRAHPGDTDP2

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 291/4885ESRRA 3406/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 GSK3B 1040/4885IGF1R 3078/4885ESRRA 3415/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B GSK3B 3188/4885IGF1R 250/4885ESRRA 3383/4885

“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.