SCHEMBL6256773

SCHEMBL6256773

O=C1C(Br)=C(Oc2ccccc2)C(=O)C(Br)=C1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
TSHR P16473 1/20 0.50
NSD2 O96028 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TLR9 Q9NR96 1/20 0.48
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GAPDH P04406 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
GSTP1 P09211 1/20 0.42
SOS1 Q07889 1/20 0.42
NAT1 P18440 2/20 0.40
MGLL Q99685 1/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
MAOA P21397 1/20 0.39
PGR P06401 1/20 0.38

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
SCHEMBL9850044 0.87 NSD2 (0.61) LTA4HTSHRNSD2HSP90AA1HKDC1
SCHEMBL19420537 0.80 NSD2 (0.53) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL8720193 0.79 LTA4H (0.61) LTA4HTSHRNSD2HSP90AA1HKDC1
SCHEMBL1802680 0.73 NSD2 (0.73) LTA4HTSHRNSD2HSP90AA1HKDC1
SCHEMBL1242175 0.73 CES2 (0.55) NSD2HSP90AA1HKDC1TLR9CES2
SCHEMBL10592307 0.72 LTA4H (0.58) LTA4HTSHRCA1CA2CA9
SCHEMBL6432470 0.70 LTA4H (0.55) LTA4HTSHRNSD2HSP90AA1HKDC1
SCHEMBL49366 0.70 LTA4H (0.55) LTA4HTSHRCA1CA2CA9
Anthraquinone SCHEMBL28596353 0.70 MEN1 (0.63) LTA4HTSHRNSD2HSP90AA1HKDC1
Diphenylether SCHEMBL9061108 0.69 LTA4H (1.00) LTA4HTSHRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN INC. 2002-02-07 US disclosed
EP-0831809-A4 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN INC (US) 2001-11-28 EP 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 LTA4H 2915/4885TSHR 3546/4885NSD2 3396/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 LTA4H 3842/4885TSHR 4214/4885NSD2 1258/4885
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions GRB2, NCK1, ABL1 LTA4H 4456/4885TSHR 4432/4885NSD2 2968/4885

“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.