SCHEMBL6254601

SCHEMBL6254601

NC(=O)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c(C(N)=O)[nH]c3ccccc23)=C(O)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 9/20 0.63
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 1/20 0.44
PTGS2 P35354 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
IDE P14735 1/20 0.40
MPI P34949 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6252383 0.86 KDM4E (0.64) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL7229483 0.81 KDM4E (0.66) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL7231941 0.80 ESR1 (0.62) MAP2KDM4EALDH1A1HPGDPTGS2
SCHEMBL6252220 0.79 KDM4E (0.55) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL6254670 0.79 MAP2 (0.56) MAP2KDM4EALDH1A1HPGDCA1
SCHEMBL6256115 0.76 CCR6 (0.51) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL61857 0.75 MAP2 (0.62) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL6257903 0.75 PTGS2 (0.59) KDM4EPTGS2ESR1ESR2MAPT
SCHEMBL6253981 0.75 PTGS2 (0.59) KDM4EPTGS2ESR1ESR2MAPT
SCHEMBL27443531 0.75 MAP2 (0.61) MAP2KDM4EALDH1A1HPGDCA1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN INC. 2002-02-07 US claimed
EP-0831809-A4 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN INC (US) 2001-11-28 EP claimed
US-6090838-A USING 2,5-BISINDOL-3-YL-1,4-QUINONE SUGEN, INC. (US) 2000-07-18 US claimed
EP-0831809-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS Sugen, Inc. (US) 1998-04-01 EP claimed
WO-1996040115-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN, INC. (US) 1996-12-19 WO claimed
EP-0959881-B1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN INC (US) 2005-09-21 EP disclosed
US-6750240-B2 FORMING 2,5-DIHYDROXY-3,6-DI(2-(3-METHYL-N-BUTYL)INDOL-3-YL)-1,4-QUINONE BY REACTING 2,3,5,6-TETRABROMO-1,4-BENZOQUINONE WITH 2-(3-METHYL-N-BUTYL)INDOLE IN PRESENCE OF CESIUM CARBONATE; ANTICANCER AGENTS SUGEN, INC. 2004-06-15 US disclosed
US-6660763-B2 Antiproliferative agents for disorders with GRB-2 adaptor protein function; treating diabetes, insulin resistance, insulin deficiency and insulin allergy SUGEN, INC. 2003-12-09 US disclosed
US-20030060635-A1 Methods of using bis-indolylquinones TANG PENG C (US) 2003-03-27 US disclosed
US-20020156116-A1 Bis-indolyquinone compounds TANG PENG CHO (US) 2002-10-24 US disclosed
EP-1218342-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF Sugen, Inc. (US) 2002-07-03 EP disclosed
US-6376529-B1 INSULIN DISEASES; ANTIDIABETIC AGENTS SUGEN, INC. 2002-04-23 US disclosed
US-6239161-B1 2,5-DIHYDROXY-3,6-DI-(INDOL-3-YL)-QUINONE DERIVATIVES; ANTICARCINOGENIC AND ANTIPROLIFERATIVE AGENTS SUGEN, INC. 2001-05-29 US disclosed
WO-2001021589-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF SUGEN, INC. (US) 2001-03-29 WO disclosed
US-6110957-A ANTITUMOR AGENT TREATING CELL PROLIFERATIVE DISORDERS SUCH AS CANCER, DYES, FUNGICIDES, BACTERICIDES SUGEN, INC. (US) 2000-08-29 US disclosed
US-6090838-A USING 2,5-BISINDOL-3-YL-1,4-QUINONE SUGEN, INC. (US) 2000-07-18 US disclosed
US-5786488-A DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT SUGEN, INC. (US) 1998-07-28 US disclosed
US-5780496-A Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN, INC. (US) 1998-07-14 US disclosed
EP-0831809-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS Sugen, Inc. (US) 1998-04-01 EP disclosed
WO-1996040115-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN, INC. (US) 1996-12-19 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-20020156116-A1 Bis-indolyquinone compounds IRS1, GRK2, GID4 MAP2 1159/4885KDM4E 3407/4885ALDH1A1 4519/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 MAP2 495/4885KDM4E 1821/4885ALDH1A1 2437/4885
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions GRB2, NCK1, ABL1 MAP2 678/4885KDM4E 1378/4885ALDH1A1 4447/4885

“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.