SCHEMBL10973722

SCHEMBL10973722

COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N+]#N

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.68
▸ KMT2A Q03164 7/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ MAPK1 P28482 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ AHR P35869 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
Hydrochloric Acid SCHEMBL4608764 0.99 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11690434 0.95 MEN1 (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Zinc Chloride SCHEMBL30135274 0.94 MEN1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11693570 0.93 MEN1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL27922925 0.90 MAPT (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL9653899 0.90 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Trifluoromethanesulfonic Acid SCHEMBL11057927 0.89 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11081067 0.88 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL14588703 0.88 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11427553 0.85 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9759733-B1 Mass produced, low cost, portable test kit for the detection and identification of narcotics VERITEQUE USA, INC. 2017-09-12 — — US claimed
WO-2014096232-A1 PROCESS OF ELECTROCHEMICALLY REDUCING AN AROMATIC DIAZONIUM SALT ON A SUBSTRATE AND SUBSTRATE OBTAINED THEREBY NATIONAL UNIVERSITY OF IRELAND MAYNOOTH (IE) 2014-06-26 — — WO claimed
US-20140057803-A1 IMMUNOASSAY REAGENTS AND METHODS OF USE THEREOF BIOCARE MEDICAL, LLC. (US) 2014-02-27 — — US claimed
US-20220404285-A1 TEST KITS AND METHODS FOR IDENTIFICATION OF CANNABINOID COMPOUNDS COMPASSIONATE ANALYTICS INC. (CA) 2022-12-22 — — US disclosed
US-9759733-B1 Mass produced, low cost, portable test kit for the detection and identification of narcotics VERITEQUE USA, INC. 2017-09-12 — — US disclosed
CN-106701891-A Detection method for insect control effect of chemical agent and Metarhizium combination 中国农业科学院植物保护研究所 2017-05-24 — — CN disclosed
US-20160139143-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2016-05-19 — — US disclosed
US-9291597-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2016-03-22 — — US disclosed
WO-2014096232-A1 PROCESS OF ELECTROCHEMICALLY REDUCING AN AROMATIC DIAZONIUM SALT ON A SUBSTRATE AND SUBSTRATE OBTAINED THEREBY NATIONAL UNIVERSITY OF IRELAND MAYNOOTH (IE) 2014-06-26 — — WO disclosed
US-8702815-B2 Cyanoborate, fluoroalkylphosphate, fluoroalkylborate or imide dyes MERCK PATENT GMBH (DE) 2014-04-22 — — US disclosed
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 — — US disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 — — US disclosed
US-7939644-B2 cationic dyes used for coloring plastics, fibers, leather and paper, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp inks, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry MERCK PATENT GMBH (DE) 2011-05-10 — — US disclosed
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes MERCK PATENT GMBH (DE) 2008-11-06 — — US disclosed
US-7157205-B2 Intermediate layer composition for multilayer resist process, pattern-forming process using the same, and laminate FUJI PHOTO FILM CO., LTD. (JP) 2007-01-02 — — US disclosed
US-4511642-A Photo-fixing heat-sensitive recording media with photosensitive diazonium salt, coupler, and organic boron salt NIPPON TELEGRAPH AND TELEPHONE PUBLIC CORP. (JP) 1985-04-16 — — 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-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES ZAP70, MYLK3, KIT MEN1 4104/4885KMT2A 823/4885SMN1; SMN2 3881/4885
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes ZAP70, MYLK3, KIT MEN1 4104/4885KMT2A 823/4885SMN1; SMN2 3881/4885

“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.

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