Bromide

Bromide

SCHEMBL4182972

[Br-].c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
ACP3 P15309 1/20 0.46
CYP2D6 P10635 2/20 0.44
HIF1A Q16665 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 1/20 0.41
SNCA P37840 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL31208285 0.98 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL723040 0.96 CTNNB1 (0.47) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8372539 0.91 CTNNB1 (0.44) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8374373 0.91 CTNNB1 (0.44) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8379526 0.91 CTNNB1 (0.44) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8601698 0.91 CTNNB1 (0.44) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
Bromide SCHEMBL27853358 0.84 SNCA (0.38) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8379528 0.82 CTNNB1 (0.43) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
Bromide SCHEMBL9954359 0.81 HIF1A (0.48) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
Bromide SCHEMBL2446627 0.81 HIF1A (0.55) CYP1A2CYP2C19CYP2D6HIF1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-9879001-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2016-07-07 US disclosed
US-9314467-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-04-19 US disclosed
US-20160031871-A1 Glycosidase Inhibitors YU HENRY (US) 2016-02-04 US disclosed
EP-2970272-A1 GLYCOSIDASE INHIBITORS Merck Patent GmbH (DE) 2016-01-20 EP disclosed
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 US disclosed
US-8420863-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-04-16 US disclosed
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US disclosed
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
EP-0662972-B1 3-,8-SUBSTITUTED DEUTEROPORPHYRINE DERIVATIVES, PHARMACEUTICALS CONTAINING THEM AND METHODS OF PRODUCING THEM DIAGNOSTIKFORSCHUNG INST (DE) 2002-10-30 EP disclosed
US-5849259-A 3-,8-substituted deuteroporphyrin derivatives, pharmaceutical agents containing the latter and process for their production INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1998-12-15 US disclosed
US-5684185-A MULTISTAGE REACTION OF SULFIDING, REACTION WITH YLIDE, HYDROLYSIS, HYDROGENATION AND OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
EP-0662972-A1 3-,8-SUBSTITUTED DEUTEROPORPHYRINE DERIVATIVES, PHARMACEUTICALS CONTAINING THEM AND METHODS OF PRODUCING THEM INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1995-07-19 EP disclosed
WO-1994007894-A1 3-,8-SUBSTITUTED DEUTEROPORPHYRINE DERIVATIVES, PHARMACEUTICALS CONTAINING THEM AND METHODS OF PRODUCING THEM INSTITUT FÜR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-14 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 (8 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-20160031871-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 CTNNB1 3072/4885TDP1 295/4885CYP1A2 416/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 CTNNB1 3072/4885TDP1 295/4885CYP1A2 416/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CTNNB1 2785/4885TDP1 272/4885CYP1A2 4246/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 CTNNB1 3072/4885TDP1 295/4885CYP1A2 416/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CTNNB1 2785/4885TDP1 272/4885CYP1A2 4246/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CTNNB1 2785/4885TDP1 272/4885CYP1A2 4246/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 CTNNB1 2785/4885TDP1 272/4885CYP1A2 4246/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CTNNB1 2785/4885TDP1 272/4885CYP1A2 4246/4885

“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.