SCHEMBL6256471

SCHEMBL6256471

O=C(O)CCCCc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
CHRM1 P11229 1/20 0.48
KDM4E B2RXH2 2/20 0.47
DAO P14920 1/20 0.47
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP1A2 P05177 1/20 0.46
PIN1 Q13526 1/20 0.46
FLT3 P36888 1/20 0.45

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
SCHEMBL28879508 0.98 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL29768662 0.98 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL19182734 0.98 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL1121805 0.98 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL143130 0.95 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL29353585 0.95 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL28048759 0.95 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL3887747 0.94 MTNR1A (0.55) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL28825523 0.94 MTNR1A (0.55) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Naphthalene SCHEMBL28348414 0.94 MTNR1A (0.55) MTNR1AMTNR1BHDAC3HDAC1HDAC2

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 20 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
EP-0959881-A4 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN INC (US) 2001-06-27 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
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
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 MTNR1A 428/4885MTNR1B 87/4885HDAC3 3275/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 MTNR1A 1029/4885MTNR1B 1006/4885HDAC3 773/4885
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions GRB2, NCK1, ABL1 MTNR1A 4058/4885MTNR1B 3898/4885HDAC3 3325/4885

“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.