Bromide

Bromide

SCHEMBL2380478

Br.COc1cccc(OC)c1CNC(=N)Nc1nc(-c2cccc(Cl)c2)cs1

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
GSTO1 P78417 1/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
RORC P51449 1/20 0.46
PAX8 Q06710 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45

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
SCHEMBL2443327 0.99 ABL1 (0.55) ABL1CYP1A1CYP1A2CYP1B1GSTO1
SCHEMBL2379292 0.89 ALOX5 (0.55) ABL1MEN1KMT2AALDH1A1HSD17B10
Bromide SCHEMBL2378134 0.88 CYP1A1 (0.49) ABL1CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL2380643 0.88 ALDH1A1 (0.60) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL2380592 0.88 ROCK2 (0.53) MEN1KMT2AALDH1A1HSD17B10ALOX15
Bromide SCHEMBL2380194 0.87 MEN1 (0.62) MEN1KMT2AALDH1A1HSD17B10ALOX15
SCHEMBL2446391 0.87 CYP1A1 (0.50) ABL1CYP1A1CYP1A2CYP1B1MEN1
Bromide SCHEMBL2380827 0.87 NPC1 (0.53) MEN1KMT2AALDH1A1HSD17B10ALOX15
Bromide SCHEMBL2382156 0.87 PKM (0.56) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL2443732 0.86 MEN1 (0.63) MEN1KMT2AALDH1A1HSD17B10ALOX15

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 ABL1 3386/4885CYP1A1 2508/4885CYP1A2 2846/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ABL1 3545/4885CYP1A1 3041/4885CYP1A2 3462/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ABL1 3386/4885CYP1A1 2508/4885CYP1A2 2846/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ABL1 3386/4885CYP1A1 2508/4885CYP1A2 2846/4885

“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.