SCHEMBL1554733

SCHEMBL1554733

COc1ccc(C(=O)O)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
POLB P06746 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PKM P14618 1/20 0.56
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CDC25B P30305 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CDK2 P24941 1/20 0.43
TSHR P16473 1/20 0.42
AKR1C3 P42330 2/20 0.41

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
SCHEMBL1553814 0.89 TDP1 (0.56) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL15834222 0.88 TDP1 (0.72) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL15440632 0.84 ALDH1A1 (0.55) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL11669542 0.84 TDP1 (0.47) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL25329286 0.83 TDP1 (0.61) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL621983 0.83 PKM (0.69) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL30105934 0.83 PKM (0.69) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL7847617 0.83 PKM (0.65) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL8683506 0.83 PKM (0.56) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL1447280 0.83 PKM (0.56) KDM4ETDP1POLBCTDSP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877462-B1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORP (US) 2019-09-04 EP disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
EP-2877462-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS Celgene Corporation (US) 2015-06-03 EP disclosed
WO-2014018866-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 WO disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US disclosed
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR KDM4E 3056/4885TDP1 1839/4885POLB 1006/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 KDM4E 2408/4885TDP1 4815/4885POLB 2680/4885
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS UGT1A1, CYP3A5, CYP3A7 KDM4E 3851/4885TDP1 553/4885POLB 487/4885

“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.