Bromide

Bromide

SCHEMBL19970432

CCCCCCn1ncc(N=Nc2n(CCCNC(=O)C(F)(F)F)cc[n+]2CCCNC(=O)C(F)(F)F)c1N.[Br-]

nearest known ligand 0.36

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 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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 SCHEMBL19970431 1.00 EPHX1 (0.36) EPHX1CA1CA2
Bromide SCHEMBL19970389 0.98 EPHX1 (0.36) EPHX1CA1CA2
Bromide SCHEMBL19970386 0.98 EPHX1 (0.36) EPHX1CA1CA2
Bromide SCHEMBL19970388 0.97 EPHX1 (0.36) EPHX1CA1CA2
Bromide SCHEMBL19970392 0.97 EPHX1 (0.36) EPHX1CA1CA2
Bromide SCHEMBL19970435 0.97 EPHX1 (0.33) EPHX1
Bromide SCHEMBL19970436 0.97 EPHX1 (0.33) EPHX1
Bromide SCHEMBL19970434 0.94 EPHX1 (0.31) EPHX1
Bromide SCHEMBL19970433 0.94 EPHX1 (0.31) EPHX1
Bromide SCHEMBL19970351 0.94 EPHX1 (0.32) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512604-B1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE WELLA OPERATIONS US LLC (US) 2023-05-31 EP disclosed
US-10093807-B2 Stable yellow imidazolium compounds NOXELL CORPORATION (US) 2018-10-09 US disclosed
US-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-9918919-B1 Method of coloring hair with washfast yellow imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-03-20 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-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WASHC4, TYR, WASHC5 EPHX1 1896/4885CA1 1121/4885CA2 920/4885
US-10093807-B2 Stable yellow imidazolium compounds IK, NDUFV1, NDUFV2 EPHX1 4558/4885CA1 4204/4885CA2 2356/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 EPHX1 4558/4885CA1 4204/4885CA2 2356/4885

“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.