Bromide

Bromide

SCHEMBL284958

Br.CCOC(=O)CCCCCN1C2=CC=CCC2=Cc2ccccc21

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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
▸ NAMPT P43490 1/20 0.39
▸ FAAH O00519 3/20 0.38
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TNF P01375 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL284852 0.85 SMN1; SMN2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL1110825 0.84 DRD2 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL591245 0.81 CDC25A (0.40) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL284859 0.79 TDP1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL284959 0.78 NAMPT (0.37) NAMPTFAAHCYP4F2CYP4A11NOTUM
Bromide SCHEMBL284961 0.73 NAMPT (0.53) NAMPTFAAHCYP4F2CYP4A11NOTUM
SCHEMBL2303536 0.71 CYP4F2 (0.38) NAMPTFAAHCYP4F2CYP4A11NOTUM
SCHEMBL5946384 0.71 MAPK7 (0.37) MEN1KMT2APOLBCYP3A4CYP2D6
SCHEMBL7543946 0.69 HDAC8 (0.59) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL7547276 0.69 HDAC8 (0.59) MEN1KMT2ACYP1A2POLBCYP3A4

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 22 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-20100317016-A1 DYES AND LABELED MOLECULES BIOTIUM, INC. (US) 2010-12-16 — — US disclosed
US-7803943-B2 Methods of using dyes in association with nucleic acid staining or detection and associated technology BIOTIUM, INC. (US) 2010-09-28 — — US disclosed
US-7776567-B2 Dimeric and trimeric nucleic acid dyes, and associated systems and methods BIOTIUM, INC. (US) 2010-08-17 — — US 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
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
WO-2006099605-A2 DIMERIC AND TRIMERIC NUCLEIC ACID DYES, AND ASSOCIATED SYSTEMS AND METHODS BIOTIUM, INC. (US) 2006-09-21 — — WO 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

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-20100317016-A1 DYES AND LABELED MOLECULES DNA2, POLL, POLRMT NAMPT 3669/4885FAAH 3624/4885CYP4F2 3853/4885
US-20060211028-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods DNA2, POLRMT, POLL NAMPT 3307/4885FAAH 3421/4885CYP4F2 4166/4885
US-20060211029-A1 Methods of using dyes in association with nucleic acid staining or detection and associated technology HNRNPLL, HNRNPL, HNRNPH3 NAMPT 3766/4885FAAH 3020/4885CYP4F2 4547/4885

“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.

Send feedback