Bromide

Bromide

SCHEMBL557385

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C(C)O)C(C)O.[Br-]

nearest known ligand 0.52

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 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DNM1 Q05193 9/20 0.48
SLC22A1 O15245 1/20 0.48
HSP90AA1 P07900 1/20 0.44
RAD52 P43351 1/20 0.44

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
Water SCHEMBL17222518 0.95 SLC22A1 (0.48) ALDH1A1TP53CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL4603559 0.95 DNM1 (0.48) ALDH1A1TP53CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL2772679 0.95 DNM1 (0.48) ALDH1A1TP53CYP3A4ALOX15TSHR
Bromide SCHEMBL3028711 0.90 SLC22A1 (0.41) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL8500577 0.87 SLC22A1 (0.43) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL17222516 0.87 SLC22A1 (0.41) ALDH1A1TP53CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL315435 0.86 DNM1 (0.44) ALDH1A1TP53CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL8500446 0.85 SLC22A1 (0.41) TSHRHSD17B10DNM1SLC22A1RAD52
Hydrochloric Acid SCHEMBL2764924 0.85 DNM1 (0.43) ALDH1A1TP53CYP3A4ALOX15TSHR
Phosphoric Acid SCHEMBL10748115 0.84 GGPS1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346516-B1 DRUG DELIVERY OF (QUATERNARY) AMINE SALT AND MACROMOLECULE; GENE THERAPY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-02-12 US claimed
US-20230145420-A1 RECOMBINANT VACCINES AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2023-05-11 US disclosed
EP-4132572-A1 RECOMBINANT VACCINES AND METHODS OF USE THEREOF Vanderbilt University (US) 2023-02-15 EP disclosed
EP-2891497-B1 DNA VACCINE CONTAINING VEGF-SPECIFIC EPITOPE AND/OR ANGIOPOIETIN-2-SPECIFIC EPITOPE UNIV OSAKA (JP) 2020-07-01 EP disclosed
US-10695420-B2 DNA-peptide combination vaccine ANGES, INC. (JP) 2020-06-30 US disclosed
US-10543261-B2 DNA vaccine containing VEGF-specific epitope and/or angiopoietin-2-specific epitope OSAKA UNIVERSITY (JP) 2020-01-28 US disclosed
EP-2698164-B1 DNA VACCINE UNIV OSAKA (JP) 2018-04-04 EP disclosed
US-9913886-B2 DNA vaccine containing specific epitope of apolipoprotein (a) ANGES, INC. (JP) 2018-03-13 US disclosed
EP-3222289-A1 DNA-PEPTIDE COMBINATION VACCINE AnGes MG, Inc. (JP) 2017-09-27 EP disclosed
US-20170258895-A1 DNA-PEPTIDE COMBINATION VACCINE ANGES MG, INC. (JP) 2017-09-14 US disclosed
US-7718847-B2 Method of gene introduction in in-vivo spermatogenic cell KYOTO UNIVERSITY (JP) 2010-05-18 US disclosed
US-20090215644-A1 Rna interference induction element and use thereof KURUME UNIVERSITY (JP) 2009-08-27 US disclosed
EP-1932541-A1 APOPTOSIS PROMOTER, CELL PROLIFERATION INHIBITOR, PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER, SCREENING METHOD FOR THE PROMOTER, INHIBITOR OR AGENT OSAKA UNIVERSITY (JP) 2008-06-18 EP disclosed
US-20080060091-A1 Method of Gene Introduction in In-Vivo Spermatogenic Cell KYOTO UNIVERSITY (JP) 2008-03-06 US disclosed
US-6541649-B2 A hydrophobic group is either directly linked to the positively charged Nitrogen atom or is linked to the said Nitrogen atom via an ester or methylene group. COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-04-01 US disclosed
US-6503945-B2 Nontoxic, drug delivery, gene therapy; therapy of cystic fibrosis COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-01-07 US disclosed
US-20020077366-A1 Novel cationic amphiphiles containing N-hydroxyalkyl group for intracellular delivery of biologically active molecules COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2002-06-20 US disclosed
US-20020062044-A1 Process for synthesis of novel cationic amphiphiles containing N-hydroxyalkyl group for intracellular delivery of biologically active molecules COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2002-05-23 US disclosed
US-6346516-B1 DRUG DELIVERY OF (QUATERNARY) AMINE SALT AND MACROMOLECULE; GENE THERAPY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-02-12 US disclosed
US-6333433-B1 COUPLING ALIPHATIC ALDEHYDE WITH ALKYLAMINE, REDUCING IMINE TO SECONDARY AMINE, REACTING WITH PROTECTED HYDROXYALKYL HALIDE, DEPROTECTING, QUATERNIZING N-HYDROXYALKYL GROUP CONTAINING TERTIARY AMINE WITH ALKYL HALIDE OR TOSYLATE IN POLAR SOLVENT COUNCIL OF SCIENTIFIC INDUSTRIAL RESEARCH (IN) 2001-12-25 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-20020077366-A1 Novel cationic amphiphiles containing N-hydroxyalkyl group for intracellular delivery of biologically active molecules NPC1L1, ABCB4, ANXA1 ALDH1A1 3509/4885TP53 1078/4885CYP3A4 4856/4885
US-20020062044-A1 Process for synthesis of novel cationic amphiphiles containing N-hydroxyalkyl group for intracellular delivery of biologically active molecules CHMP4B, SLC43A1, SCAMP3 ALDH1A1 4054/4885TP53 2065/4885CYP3A4 4513/4885

“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.