Bromide

Bromide

SCHEMBL4178373

COc1cc2ccccc2cc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 1/20 0.43
SLC2A1 P11166 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NQO1 P15559 1/20 0.42
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
HTR2A P28223 1/20 0.38
PDE4A P27815 1/20 0.37

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
Hydrochloric Acid SCHEMBL9063521 0.83 TRAP1 (0.51) TRAP1KDM4EALDH1A1CYP3A4HTR2A
Bromide SCHEMBL7804211 0.83 HTR2A (0.54) KDM4EHTR2A
Bromide SCHEMBL3607673 0.80 L3MBTL1 (0.47) TRAP1ALDH1A1CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10735322 0.79 TRAP1 (0.55) TRAP1HTR2A
Bromide SCHEMBL17337941 0.78 SLC6A2 (0.42) TRAP1KDM4EALDH1A1HPGDSLC6A2
Hydrochloric Acid SCHEMBL5829422 0.76 L3MBTL1 (0.47) TRAP1ALDH1A1CYP2D6SLC6A2SLC6A4
Bromide SCHEMBL15266086 0.75 HMGCR (0.50) TRAP1KDM4EALDH1A1CYP3A4HTR2A
Hydrochloric Acid SCHEMBL8680191 0.75 PTGES2 (0.42) TRAP1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL3593457 0.75 NQO1 (0.54) SLC2A1KDM4EALDH1A1HPGDNQO1
Bromide SCHEMBL6201598 0.74 SMN1; SMN2 (0.50) TRAP1KDM4EALDH1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 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-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 US disclosed
US-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. 2015-06-18 US disclosed
US-8653142-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-02-18 US disclosed
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2013-09-26 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

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-20150166495-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-20150166494-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-20160193160-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 TRAP1 333/4885SLC2A1 2795/4885KDM4E 3134/4885

“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.