SCHEMBL1002934

SCHEMBL1002934

Cc1cc[n+](CCCCS(=O)(=O)O)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ POLB P06746 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.49
▸ RECQL P46063 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HTT P42858 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38

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
SCHEMBL5708457 0.96 KDM4E (0.58) KDM4EPOLBALDH1A1RECQLRXFP1
Water SCHEMBL1048309 0.94 KDM4E (0.57) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL4177550 0.86 KDM4E (0.66) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL13645489 0.85 KDM4E (0.64) KDM4EPOLBRECQLHTTMAPT
SCHEMBL13686278 0.83 KDM4E (0.62) KDM4EPOLBRECQLBCHEACHE
SCHEMBL19749239 0.82 KDM4E (0.71) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL19485776 0.79 KDM4E (0.61) KDM4EPOLBALDH1A1RECQLHTT
SCHEMBL16450366 0.79 KDM4E (0.57) KDM4EPOLBALDH1A1RECQLHTT
SCHEMBL15419914 0.79 KDM4E (0.79) KDM4EPOLBALDH1A1RECQLHTT
Bromide SCHEMBL5394060 0.78 KDM4E (0.64) KDM4EPOLBALDH1A1RECQLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011570-B2 Nucleic acid binding dyes with improved safety BIOTIUM, INC. (US) 2018-07-03 — — US disclosed
US-9636424-B2 Composition, method, system and kit for optical electrophysiology THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2017-05-02 — — US disclosed
US-20160256576-A1 COMPOSITION, METHOD, SYSTEM AND KIT FOR OPTICAL ELECTROPHYSIOLOGY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-08 — — US disclosed
EP-2607431-B1 Cyanine dye compounds LIFE TECHNOLOGIES CORP (US) 2016-08-24 — — EP disclosed
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 — — US disclosed
US-9357924-B2 Composition, method, system and kit for optical electrophysiology THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2016-06-07 — — US disclosed
US-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY BIOTIUM, INC. 2015-07-02 — — US disclosed
US-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY BIOTIUM, INC. 2015-07-02 — — US disclosed
US-20150031579-A1 Aza-Benzazolium Containing Cyanine Dyes MOLECULAR PROBES, INC. 2015-01-29 — — US disclosed
US-8883415-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2014-11-11 — — US disclosed
US-20080044811-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2008-02-21 — — US disclosed
WO-2008015415-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE HEALTHCARE AS (NO) 2008-02-07 — — WO disclosed
US-7226740-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2007-06-05 — — US disclosed
EP-1720944-A2 CYANINE DYE COMPOUNDS Molecular Probes Inc. (US) 2006-11-15 — — EP disclosed
US-20050214810-A1 Cyanine dye compounds MOLECULAR PROBES, INC. 2005-09-29 — — US disclosed
WO-2005056689-A2 CYANINE DYE COMPOUNDS MOLECULAR PROBES, INC. (US) 2005-06-23 — — WO disclosed
US-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation 2004-07-15 — — US disclosed
US-6664047-B1 Assymetrical; substituted by a cationic side chain; exhibit bright fluorescence when associated with nucleic acid polymers such as DNA or RNA, or with polypeptides MOLECULAR PROBES, INC. 2003-12-16 — — US disclosed
US-6579718-B1 For detecting and quantifying peptides, polypeptides and proteins; sensitive, facile and does not require use of organic solvents MOLECULAR PROBES, INC. 2003-06-17 — — US disclosed
US-4677053-A INFRARED SENSITIZING DYE; IMPROVED SHELF LIFE YUJI MIHARA (JP) 1987-06-30 — — 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 (5 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-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected POLL, IK, ADAR KDM4E 1578/4885POLB 117/4885ALDH1A1 3853/4885
US-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY POLRMT, POLI, EWSR1 KDM4E 3940/4885POLB 7/4885ALDH1A1 1200/4885
US-20050214810-A1 Cyanine dye compounds POLL, XPA, DUT KDM4E 801/4885POLB 65/4885ALDH1A1 2751/4885
US-20160256576-A1 COMPOSITION, METHOD, SYSTEM AND KIT FOR OPTICAL ELECTROPHYSIOLOGY KCNN3, KCNN2, KCNN1 KDM4E 2585/4885POLB 3817/4885ALDH1A1 1454/4885
US-10011570-B2 Nucleic acid binding dyes with improved safety POLRMT, POLI, EWSR1 KDM4E 3940/4885POLB 7/4885ALDH1A1 1200/4885

“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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