Bromide

Bromide

SCHEMBL2380209

Br.COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(F)cc2F)cs1

nearest known ligand 0.53

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 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
AGER Q15109 2/20 0.50
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TRPA1 O75762 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
PHGDH O43175 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL2444278 0.99 NPC1 (0.54) NPC1MAPTRAB9AAGERKMT2A
SCHEMBL2380484 0.92 KMT2A (0.47) NPC1MAPTRAB9AAGERKMT2A
SCHEMBL2380400 0.91 MAPT (0.45) NPC1MAPTRAB9AAGERKMT2A
Bromide SCHEMBL5623476 0.91 KMT2A (0.51) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL2381596 0.90 MAPT (0.44) NPC1MAPTRAB9AAGERKMT2A
Bromide SCHEMBL2379936 0.90 KMT2A (0.48) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL2419027 0.90 KMT2A (0.52) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL2451042 0.89 KMT2A (0.48) NPC1MAPTRAB9AKMT2AMEN1
Bromide SCHEMBL2378134 0.87 CYP1A1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2379701 0.86 KMT2A (0.46) NPC1MAPTRAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 NPC1 2968/4885MAPT 72/4885RAB9A 1420/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 NPC1 3179/4885MAPT 73/4885RAB9A 1428/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 NPC1 2968/4885MAPT 72/4885RAB9A 1420/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 NPC1 2968/4885MAPT 72/4885RAB9A 1420/4885

“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.