SCHEMBL6581567

SCHEMBL6581567

COC(=O)c1cccc(OCC2COC(C)(C)O2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK14 Q16539 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HPD P32754 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6581561 1.00 ALDH1A1 (0.40) ALDH1A1MAPK14MEN1KMT2ASMN1; SMN2
SCHEMBL6584932 0.91 TMEM97 (0.40) MAPK14TMEM97SIGMAR1HPD
SCHEMBL6584920 0.91 TMEM97 (0.40) MAPK14TMEM97SIGMAR1HPD
SCHEMBL6583395 0.84 TMEM97 (0.38) ALDH1A1MAPK14MEN1KMT2APOLB
SCHEMBL6586585 0.84 MAPK14 (0.37) MAPK14MEN1KMT2AHPGDTMEM97
SCHEMBL6586591 0.84 MAPK14 (0.37) MAPK14MEN1KMT2AHPGDTMEM97
SCHEMBL6582774 0.84 MAPK14 (0.41) ALDH1A1MAPK14TMEM97SIGMAR1MAPT
SCHEMBL6582768 0.84 MAPK14 (0.41) ALDH1A1MAPK14TMEM97SIGMAR1MAPT
SCHEMBL6581000 0.84 MAPK14 (0.34) MAPK14HPGDTMEM97SIGMAR1HPD
SCHEMBL6583971 0.84 MAPK14 (0.34) MAPK14HPGDTMEM97SIGMAR1HPD

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
CN-1185229-C 3-indolyl-4-phenyl-1H-pyrrole-2, 5-dione derivatives as glycogen synthase kinase-3 beta inhibitors HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
CN-1444581-A 3-indolyl-4-phenyl-1H-pyrrole-2, 5-dione derivatives as inhibitors of glycogen synthase kinase-3beta HOFFMANN LA ROCHE (CH) 2003-09-24 CN disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (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-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL ALDH1A1 2363/4885MAPK14 847/4885MEN1 4074/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL ALDH1A1 2390/4885MAPK14 679/4885MEN1 4053/4885

“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.