Bromide

Bromide

SCHEMBL2553255

Br.Br.Br.Nc1nc(N)c2nc(CBr)cnc2n1

nearest known ligand 0.55

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 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.52
DHFR P00374 1/20 0.50

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 SCHEMBL30761717 1.00 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL29695506 1.00 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL29515501 1.00 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL1116048 1.00 NOS1 (0.52) NOS1DHFR
SCHEMBL64146 0.98 NOS1 (0.54) NOS1DHFR
SCHEMBL31143797 0.98 NOS1 (0.54) NOS1DHFR
SCHEMBL30435493 0.98 NOS1 (0.54) NOS1DHFR
Hydrochloric Acid SCHEMBL479239 0.97 NOS1 (0.52) NOS1DHFR
Bromide SCHEMBL28577318 0.95 NOS1 (0.51) NOS1DHFR
Isopropyl Alcohol SCHEMBL8445236 0.91 NOS1 (0.49) NOS1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872313-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-01-16 US disclosed
US-11141379-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof WASHINGTON UNIVERSITY (US) 2021-10-12 US disclosed
US-20210077400-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-03-18 US disclosed
US-20190192436-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-06-27 US disclosed
US-10201500-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof WASHINGTON UNIVERSITY (US) 2019-02-12 US disclosed
EP-2558072-B1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2018-09-26 EP disclosed
US-9498439-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof WASHINGTON UNIVERSITY (US) 2016-11-22 US disclosed
US-20160279060-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-29 US disclosed
US-20130122100-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF THE WASHINGTON UNIVERSITY (US) 2013-05-16 US disclosed
EP-2558072-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF The Washington University (US) 2013-02-20 EP disclosed
WO-2011130674-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF THE WASHINGTON UNIVERSITY (US) 2011-10-20 WO 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 (7 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-20160279060-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF FAP, PNP, TYMP NOS1 835/4885DHFR 517/4885
US-20130122100-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF PHOSPHO1, PTDSS1, SMPD3 NOS1 1446/4885DHFR 1486/4885
US-20190192436-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF FAP, PNP, TYMP NOS1 835/4885DHFR 517/4885
US-11141379-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof FAP, PNP, TYMP NOS1 835/4885DHFR 517/4885
US-20210077400-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF FAP, PNP, TYMP NOS1 835/4885DHFR 517/4885
US-10201500-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof FAP, PNP, TYMP NOS1 835/4885DHFR 517/4885
US-11872313-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof FAP, PNP, TYMP NOS1 835/4885DHFR 517/4885

“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.