SCHEMBL15440586

SCHEMBL15440586

O=C1OC(=O)c2c1ccc(O)c2[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GPR35 Q9HC97 1/20 0.44
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CSNK2A3 Q8NEV1 2/20 0.39
S100A4 P26447 1/20 0.37
AURKA O14965 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL19585641 0.79 ALDH1A1 (0.59) ALDH1A1MAPTPOLBMCL1CYP3A4
SCHEMBL29838645 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPOLBAPEX1CASP6
SCHEMBL11654706 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPOLBAPEX1CASP6
SCHEMBL28626058 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMCL1CYP3A4TSHR
SCHEMBL11184231 0.78 CYP3A4 (0.53) ALDH1A1GPR35MAPTPOLBAPEX1
SCHEMBL1609319 0.78 ALDH1A1 (0.41) ALDH1A1GPR35MAPTPOLBAPEX1
SCHEMBL8693513 0.75 MAOA (0.53) ALDH1A1MAPTAPEX1MCL1CYP3A4
SCHEMBL10355812 0.75 ALDH1A1 (0.67) ALDH1A1MAPTPOLBAPEX1CASP6
SCHEMBL21477545 0.74 RECQL (0.43) ALDH1A1MAPTPOLBCYP3A4TSHR
SCHEMBL31305176 0.74 RECQL (0.43) ALDH1A1MAPTPOLBCYP3A4TSHR

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
EP-2877462-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS Celgene Corporation (US) 2015-06-03 EP claimed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US claimed
WO-2014018866-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 WO claimed
US-20190315775-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT KEIO UNIVERSITY (JP) 2019-10-17 US disclosed
EP-2877462-B1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORP (US) 2019-09-04 EP disclosed
EP-3530652-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT Keio University (JP) 2019-08-28 EP disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 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 (2 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-20190315775-A1 MODIFIED PHENYLPHTHALIMIDE AND PHARMACEUTICAL COMPOSITION HAVING SAME AS ACTIVE INGREDIENT HNRNPL, HNRNPLL, CCNL2 ALDH1A1 2073/4885GPR35 1306/4885MAPT 1279/4885
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS UGT1A1, CYP3A5, CYP3A7 ALDH1A1 347/4885GPR35 3144/4885MAPT 264/4885

“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.