SCHEMBL2882580

SCHEMBL2882580

CCCCN1C(=O)COc2ccc(C=O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
KMO O15229 1/20 0.46
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 1/20 0.46
USP2 O75604 1/20 0.46
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PIK3CG P48736 3/20 0.44
REN P00797 1/20 0.43
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR1D P28221 1/20 0.42

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
SCHEMBL5910947 0.86 HTT (0.49) POLBKMOHTTUSP2TSHR
SCHEMBL3065160 0.86 REN (0.55) POLBKMOHTTTP53USP2
SCHEMBL13618628 0.84 TSHR (0.64) POLBHTTTP53THRBTSHR
SCHEMBL10272401 0.83 POLB (0.52) POLBKMOSLC5A1SLC5A2HTT
SCHEMBL10224262 0.81 ALDH1A1 (0.66) POLBKMOSLC5A1SLC5A2HTT
SCHEMBL2880401 0.81 PIK3CG (0.60) PIK3CG
SCHEMBL12975577 0.81 PIK3CG (0.60) PIK3CG
SCHEMBL10181988 0.80 TSHR (0.62) POLBHTTTP53THRBTSHR
SCHEMBL10024878 0.80 HTT (0.46) KMOHTTUSP2TSHRPIK3CG
SCHEMBL27621258 0.80 PIK3CG (0.46) POLBHTTPIK3CG

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 14 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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 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
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN 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 POLB 3004/4885KMO 431/4885SLC5A1 2747/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 POLB 1875/4885KMO 3300/4885SLC5A1 3501/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B POLB 3117/4885KMO 572/4885SLC5A1 2905/4885

“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.