Bromide

Bromide

SCHEMBL2380168

Br.COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccccc2C(F)(F)F)cs1

nearest known ligand 0.46

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
VCP P55072 2/20 0.46
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MRE11 P49959 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MPL P40238 2/20 0.40
NAMPT P43490 1/20 0.39
HPGDS O60760 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2446445 0.99 VCP (0.47) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2380490 0.90 ROCK2 (0.52) VCPATP4AATP4BKMT2AMEN1
Bromide SCHEMBL2379076 0.89 ATP4A (0.55) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2449265 0.88 ATP4A (0.53) VCPATP4AATP4BKMT2AMEN1
Bromide SCHEMBL2379936 0.87 KMT2A (0.48) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2451042 0.86 KMT2A (0.48) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2380570 0.85 GSTO1 (0.48) VCPATP4AATP4BKMT2AMEN1
Bromide SCHEMBL2379987 0.83 MEN1 (0.43) KMT2AMEN1ROCK2ROCK1MAPK1
Bromide SCHEMBL5623476 0.83 KMT2A (0.51) ATP4AATP4BKMT2AMEN1MAPK1
SCHEMBL2380433 0.83 ROCK2 (0.48) KMT2AMEN1ROCK2ROCK1MAPK1

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 VCP 3954/4885ATP4A 4057/4885ATP4B 3402/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 VCP 4026/4885ATP4A 3849/4885ATP4B 3191/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 VCP 3954/4885ATP4A 4057/4885ATP4B 3402/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 VCP 3954/4885ATP4A 4057/4885ATP4B 3402/4885

“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.