SCHEMBL2880267

SCHEMBL2880267

COC(=O)c1ccc2ncnc(OC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
CNR1 P21554 1/20 0.42
GAA P10253 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PIK3CD O00329 1/20 0.42
EGFR P00533 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 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
SCHEMBL27588037 0.86 RAF1 (0.46) ALDH1A1HTTCA1CA2CA12
SCHEMBL22084034 0.85 RAF1 (0.44) ALDH1A1CA1CA2RXFP1PIK3CD
SCHEMBL3699906 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL496982 0.82 CSNK2A1 (0.51) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL29894777 0.82 CSNK2A1 (0.51) ALDH1A1MAPTHPGDALOX15HTT
Hydrochloric Acid SCHEMBL18297970 0.81 MAP4K4 (0.50) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL2882400 0.81 ALDH1A1 (0.57) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL6512959 0.80 EGFR (0.46) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL6301162 0.77 ALOX15 (0.57) MAPTALOX15HTTCA1CA2
SCHEMBL2671189 0.76 ALOX15 (0.49) ALDH1A1MAPTALOX15HTTCA1

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 12 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
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
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 ALDH1A1 716/4885MAPT 3408/4885HPGD 2011/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ALDH1A1 1935/4885MAPT 4185/4885HPGD 3176/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ALDH1A1 678/4885MAPT 3523/4885HPGD 2135/4885

“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.