SCHEMBL2882234

SCHEMBL2882234

COc1ccccc1CNc1cc(C=C2CNCS2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC1 Q13547 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.36
KDM1A O60341 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL2881875 0.75 HTR2A (0.33) ALDH1A1MEN1KMT2AADORA3ALOX15
SCHEMBL2881408 0.71 FLT3 (0.43) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL5626734 0.70 L3MBTL1 (0.67) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL25629723 0.64 ATM (0.54) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL30415316 0.64 ATM (0.54) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6273540 0.64 MAPT (0.49) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6523611 0.63 PIM1 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6141882 0.62 GAA (0.50) GAAL3MBTL1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL2992189 0.61 GAA (0.49) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL3410106 0.61 GAA (0.81) GAAL3MBTL1ALDH1A1KDM4EMAPT

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
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

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 GAA 4371/4885L3MBTL1 1284/4885ALDH1A1 716/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 GAA 1159/4885L3MBTL1 3943/4885ALDH1A1 1935/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B GAA 4459/4885L3MBTL1 1177/4885ALDH1A1 678/4885

“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.