SCHEMBL6252383

SCHEMBL6252383

O=C1C(O)=C(c2c(C(=O)O)[nH]c3ccccc23)C(=O)C(O)=C1c1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
MAP2 P11137 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
GPR35 Q9HC97 2/20 0.47
FOLH1 Q04609 1/20 0.47
GAA P10253 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GFER P55789 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7229483 0.94 KDM4E (0.66) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL6252220 0.92 KDM4E (0.55) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL6254155 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL6254601 0.86 MAP2 (0.63) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL6252604 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7231941 0.84 ESR1 (0.62) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL7240663 0.83 KDM4E (0.46) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL3091466 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL6256115 0.78 CCR6 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL5203951 0.77 KDM4E (0.96) KDM4EALDH1A1HPGDMAP2MEN1

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 10 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
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-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

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-20020156116-A1 Bis-indolyquinone compounds IRS1, GRK2, GID4 KDM4E 3407/4885ALDH1A1 4519/4885HPGD 3337/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 KDM4E 1821/4885ALDH1A1 2437/4885HPGD 287/4885

“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.