SCHEMBL6975368

SCHEMBL6975368

CC(=O)c1cc[c]c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA5A P35218 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
PRKCI P41743 1/20 0.35
HPGD P15428 1/20 0.35
S100A4 P26447 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL27860665 0.81 TSHR (0.40) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL4286215 0.79 CA1 (0.47) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL6152607 0.77 MAPT (0.39) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL4064595 0.77 CYP2A6 (0.42) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL561510 0.75 NPC1 (0.38) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL3391247 0.75 ALDH1A1 (0.41) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL3393204 0.75 L3MBTL1 (0.55) TDP1NPC1RAB9AMAPTMEN1
SCHEMBL17688358 0.74 CA12 (0.51) NPC1RAB9AKMT2ATSHRALDH1A1
SCHEMBL10387887 0.73 HSD17B3 (0.49)
SCHEMBL9667627 0.72 PKM (0.46) TDP1NPC1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206683-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA The Board of Trustees of the Leland Stanford Junior University (US) 2017-08-23 EP claimed
WO-2016061538-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-04-21 WO claimed
CN-102827091-A Triazine mercapto derivate as well as preparation method and application thereof UNIV SHANDONG 2012-12-19 CN claimed
CN-102276535-A Azazine mercaptoacetamide derivative and preparation method and application thereof 2011-12-14 CN claimed
US-20190106387-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2019-04-11 US disclosed
US-20180022698-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2018-01-25 US disclosed
EP-3206683-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA The Board of Trustees of the Leland Stanford Junior University (US) 2017-08-23 EP disclosed
WO-2016061538-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-04-21 WO disclosed
CN-102827091-B Triazine mercapto derivate as well as preparation method and application thereof UNIV SHANDONG 2014-12-17 CN disclosed
CN-102827091-A Triazine mercapto derivate as well as preparation method and application thereof UNIV SHANDONG 2012-12-19 CN disclosed
CN-102276535-A Azazine mercaptoacetamide derivative and preparation method and application thereof 2011-12-14 CN disclosed
EP-1343756-A2 1-ARYL- OR 1-ALKYLSULFONYL-HETEROCYCLYLBENZAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-09-17 EP disclosed
WO-2002036562-A2 1-ARYL- OR 1-ALKYLSULFONYL-HETEROCYCLYLBENZAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-05-10 WO disclosed
CN-1070863-C Phosphonic diester derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-12 CN disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
CN-1206419-A Phosphonic acid diester derivatives OTSUKA PHARMA CO LTD (JP) 1999-01-27 CN disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed
CN-1022632-C Carboxamide compounds, process for preparing same and pharmaceutical composition containing same OTSUKA PHARMA CO LTD (JP) 1993-11-03 CN disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed
CN-1040029-A Carboxylic acid amide compounds and preparation method thereof and contain the pharmaceutical composition of this carboxylic acid amine compound OTSUKA PHARMA CO LTD (JP) 1990-02-28 CN 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-20180022698-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA GABRA5, GABRA4, GABRA6 TDP1 3379/4885NPC1 3821/4885RAB9A 3176/4885
US-20190106387-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR ANESTHESIA GABRA5, GABRA4, GABRA6 TDP1 3379/4885NPC1 3821/4885RAB9A 3176/4885

“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.