Bromide

Bromide

SCHEMBL3201773

Br.NCc1cc(C(=O)NO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21

nearest known ligand 0.83

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 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.83

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
SCHEMBL2511561 0.99 CXCR4 (0.84) CXCR4
SCHEMBL14615705 0.94 CXCR4 (0.83) CXCR4
SCHEMBL2509826 0.94 CXCR4 (0.86) CXCR4
Bromide SCHEMBL3195780 0.92 CXCR4 (0.98) CXCR4
Bromide SCHEMBL3204904 0.92 CXCR4 (0.98) CXCR4
SCHEMBL2507268 0.91 CXCR4 (1.00) CXCR4
SCHEMBL2506562 0.91 CXCR4 (1.00) CXCR4
SCHEMBL2508557 0.90 CXCR4 (0.87) CXCR4
SCHEMBL2506620 0.90 CXCR4 (1.00) CXCR4
SCHEMBL2506592 0.87 CXCR4 (0.76) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991221-B1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORP (US) 2014-05-21 EP disclosed
US-20130095076-A1 Methods For Increasing Blood Flow And/Or Promoting Tissue Regeneration GENZYME CORPORATION (US) 2013-04-18 US disclosed
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION 2010-02-11 US disclosed
EP-1631307-A4 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC (CA) 2008-03-26 EP disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-7169750-B2 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2007-01-30 US disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
EP-1631307-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-03-08 EP disclosed
US-20050043367-A1 Methods to mobilize progenitor/stem cells ANORMED CORPORATION (CA) 2005-02-24 US disclosed
WO-2005000333-A1 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2005-01-06 WO disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 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 (6 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-20050043367-A1 Methods to mobilize progenitor/stem cells CXCL12, CXCR4, CXCR1 CXCR4 2/4885
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885
US-20130095076-A1 Methods For Increasing Blood Flow And/Or Promoting Tissue Regeneration CXCL12, CXCR4, CXCR1 CXCR4 2/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885

“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.