SCHEMBL6256459

SCHEMBL6256459

CCc1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
ALDH1A1 P00352 4/20 0.47
VCP P55072 2/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
F2 P00734 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 1/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
PIN1 Q13526 1/20 0.42
APEX1 P27695 2/20 0.42

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
SCHEMBL5960509 0.90 KDM4E (0.51) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL6253984 0.87 HRH3 (0.56) HRH3ALDH1A1VCPKDM4EKMT2A
SCHEMBL10066931 0.85 MMP2 (0.59) HRH3VCPSIRT1F2MMP2
SCHEMBL20570792 0.85 HRH3 (0.52) HRH3ALDH1A1KDM4EHPGDTHRB
SCHEMBL30457877 0.85 HRH3 (0.52) HRH3ALDH1A1KDM4EHPGDTHRB
SCHEMBL6152137 0.84 HRH3 (0.53) HRH3ALDH1A1KDM4EHPGDTHRB
SCHEMBL6240732 0.83 KDM4E (0.51) HRH3ALDH1A1KDM4EKMT2AHPGD
SCHEMBL2974997 0.83 HRH3 (0.51) HRH3ALDH1A1KDM4EHPGDTHRB
SCHEMBL5882117 0.83 MEN1 (0.49) HRH3ALDH1A1VCPKDM4EKMT2A
SCHEMBL26926590 0.83 HRH3 (0.55) HRH3ALDH1A1KDM4EHPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 WO claimed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
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
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
EP-0959881-A1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM Sugen, Inc. (US) 1999-12-01 EP disclosed
CN-1192680-A Methods and compositions for inhibiting adaptor protein/tyrosine kinase interactions SUGEN INC (US) 1998-09-09 CN 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
WO-1998020874-A1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN, INC. (US) 1998-05-22 WO 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 HRH3 1417/4885ALDH1A1 4519/4885VCP 3881/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 HRH3 963/4885ALDH1A1 2437/4885VCP 2990/4885
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions GRB2, NCK1, ABL1 HRH3 2440/4885ALDH1A1 4447/4885VCP 3052/4885

“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.