Bromide

Bromide

SCHEMBL1329464

Br.CCCCCCCCCCCCCCCCN(Cc1ccccc1)C(C)C.CCCCCCCCCCCCCCCCN(Cc1ccccc1)C(C)C.Cl

nearest known ligand 0.49

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
SIGMAR1 known ✓ Q99720 3/20 0.49
KCNH2 Q12809 5/20 0.47
CNR2 P34972 2/20 0.45
ACKR3 P25106 1/20 0.43
OPRK1 P41145 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSPD1 P10809 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
Bromide SCHEMBL1329467 1.00 SIGMAR1 (0.49) SIGMAR1KCNH2CNR2ACKR3OPRK1
Bromide SCHEMBL27753201 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Bromide SCHEMBL1330660 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Hydrochloric Acid SCHEMBL1331419 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Hydrochloric Acid SCHEMBL1330552 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Bromide SCHEMBL1331166 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Bromide SCHEMBL1330634 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Hydrochloric Acid SCHEMBL1329670 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Hydrochloric Acid SCHEMBL1330330 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL23308021 0.97 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962662-B2 Antimicrobial compositions and methods of use thereof BYOCOAT ENTERPRISES, INC. (US) 2015-02-24 US disclosed
US-8586115-B2 Antimicrobial solutions and process related thereto BYOCOAT ENTERPRISES, INC. (US) 2013-11-19 US disclosed
US-20130137732-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE THEREOF BYOCOAT ENTERPRISES, INC. (US) 2013-05-30 US disclosed
WO-2013074526-A2 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE THEREOF BYOCOAT ENTERPRISES, INC. (US) 2013-05-23 WO disclosed
US-20120264758-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (US) 2012-10-18 US disclosed
US-20110281002-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (PR) 2011-11-17 US disclosed
US-20090192165-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (PR) 2009-07-30 US disclosed
EP-1931209-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO Byocoat Enterprises, Inc. (US) 2008-06-18 EP disclosed
WO-2008008362-A2 COMPOSITIONS AND METHODS FOR REDUCING OR PREVENTING MICROORGANISM GROWTH OR SURVIVAL IN AQUEOUS ENVIRONMENTS BYOCOAT ENTERPRISES, INC. (US) 2008-01-17 WO disclosed
WO-2007030104-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (US) 2007-03-15 WO disclosed
US-20060110506-A1 Antimicrobial solutions and process related thereto BYOCOAT ENTERPRISES, INC. 2006-05-25 US disclosed
US-20050271781-A1 Antimicrobial solutions and process related thereto BYOCOAT ENTERPRISES, INC. 2005-12-08 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-20130137732-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE THEREOF KARS1, AAAS, AARS1 SIGMAR1 793/4885KCNH2 187/4885CNR2 4092/4885
US-20110281002-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO DAO, AGPS, TH SIGMAR1 509/4885KCNH2 1030/4885CNR2 4229/4885
US-20090192165-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO DAO, AGPS, DDC SIGMAR1 955/4885KCNH2 1278/4885CNR2 4568/4885
US-20120264758-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO DAO, AGPS, DDC SIGMAR1 955/4885KCNH2 1278/4885CNR2 4568/4885

“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.