Bromide

Bromide

SCHEMBL285416

Cc1cccc[n+]1CCCCCC(=O)O.[Br-]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 9/20 0.41
POLB P06746 2/20 0.72
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL6673095 0.98 POLB (0.69) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28802070 0.85 SMN1; SMN2 (0.56) POLBNPC1RAB9ASMN1; SMN2HDAC3
Bromide SCHEMBL3595600 0.85 NPC1 (1.00) POLBNPC1RAB9ASMN1; SMN2BCHE
Bromide SCHEMBL4887911 0.85 NPC1 (1.00) POLBNPC1RAB9ASMN1; SMN2BCHE
Bromide SCHEMBL3601102 0.85 NPC1 (1.00) POLBNPC1RAB9ASMN1; SMN2BCHE
SCHEMBL3592351 0.83 NPC1 (0.96) POLBNPC1RAB9ASMN1; SMN2BCHE
SCHEMBL3600997 0.83 NPC1 (0.96) POLBNPC1RAB9ASMN1; SMN2BCHE
SCHEMBL3598215 0.83 NPC1 (0.96) POLBNPC1RAB9ASMN1; SMN2BCHE
SCHEMBL3603641 0.83 NPC1 (0.96) POLBNPC1RAB9ASMN1; SMN2BCHE
SCHEMBL3606677 0.83 NPC1 (0.96) POLBNPC1RAB9ASMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580749-B2 Dyes and labeled molecules BIOTIUM, INC. (US) 2017-02-28 US disclosed
US-9102835-B2 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. (US) 2015-08-11 US disclosed
US-8753814-B2 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. (US) 2014-06-17 US disclosed
US-20140106349-A1 Dyes and Labeled Molecules ALLELOGIC BIOSCIENCES CORPORATION (US) 2014-04-17 US disclosed
US-20140073058-A1 Methods of Using Dyes in Association with Nucleic Acid Staining or Detection and Associated Technology BIOTIUM, INC. (US) 2014-03-13 US disclosed
US-8530195-B2 Dyes and labeled molecules BIOTIUM, INC. (US) 2013-09-10 US disclosed
US-20130167309-A1 METHODS OF USING DYES IN ASSOCIATION WITH NUCLEIC ACID STAINING OR DETECTION AND ASSOCIATED TECHNOLOGY BIOTIUM, INC. (US) 2013-07-04 US disclosed
EP-2428586-B1 Dimeric nucleic acid dyes, and associated systems and methods BIOTIUM INC (US) 2013-05-08 EP disclosed
US-8232050-B2 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. (US) 2012-07-31 US disclosed
EP-2428586-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods Biotium Inc. (US) 2012-03-14 EP disclosed
US-20100009454-A1 METHODS OF USING DYES IN ASSOCIATION WITH NUCLEIC ACID STAINING OR DETECTION AND ASSOCIATED TECHNOLOGY BIOTIUM, INC. 2010-01-14 US disclosed
US-7601498-B2 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. (US) 2009-10-13 US disclosed
US-7563907-B2 Compounds based on polymethines DYOMICS GMBH (DE) 2009-07-21 US disclosed
EP-1863933-A4 DIMERIC AND TRIMERIC NUCLEIC ACID DYES, AND ASSOCIATED SYSTEMS AND METHODS BIOTIUM INC (US) 2009-04-08 EP disclosed
EP-1863933-A2 DIMERIC AND TRIMERIC NUCLEIC ACID DYES, AND ASSOCIATED SYSTEMS AND METHODS Biotium Inc. (US) 2007-12-12 EP disclosed
US-20060211028-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods ALLELOGIC BIOSCIENCES CORPORATION 2006-09-21 US disclosed
US-20060211029-A1 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. 2006-09-21 US disclosed
WO-2006099605-A2 DIMERIC AND TRIMERIC NUCLEIC ACID DYES, AND ASSOCIATED SYSTEMS AND METHODS BIOTIUM, INC. (US) 2006-09-21 WO disclosed
US-20040260093-A1 Compound, especially marker-dye on the basis of polymethines DYOMICS GMBH (DE) 2004-12-23 US disclosed
US-20030165942-A1 Compound, especially marker-dye, on the basis of polymethines DYOMICS GMBH (DE) 2003-09-04 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 (4 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-20060211028-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods DNA2, POLRMT, POLL ACHE 4700/4885POLB 23/4885NPC1 1895/4885
US-20030165942-A1 Compound, especially marker-dye, on the basis of polymethines MKI67, CYBA, IK ACHE 1739/4885POLB 1040/4885NPC1 2001/4885
US-20040260093-A1 Compound, especially marker-dye on the basis of polymethines MKI67, IK, CYBA ACHE 1959/4885POLB 838/4885NPC1 1872/4885
US-20060211029-A1 Methods of using dyes in association with nucleic acid staining or detection and associated technology HNRNPLL, HNRNPL, HNRNPH3 ACHE 4598/4885POLB 188/4885NPC1 3015/4885

“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.