Bromide

Bromide

SCHEMBL2085161

Br.CC(C)(C)c1cc(C(=O)CNCc2ccccn2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

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
ACHE known ✓ P22303 2/20 0.47
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BCHE P06276 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
VNN1 O95497 2/20 0.42
F2R P25116 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TNFRSF1A P19438 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL3977350 0.99 GAA (0.58) GAAMEN1KMT2ABCHEMAOA
SCHEMBL3891522 0.81 GAA (0.67) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2086644 0.79 BCHE (0.46) GAAMEN1KMT2ABCHEMAOA
SCHEMBL2085171 0.76 BCHE (0.48) GAAMEN1KMT2ABCHEMAOA
SCHEMBL11610635 0.74 GAA (0.52) GAAMEN1KMT2AF2RALOX5
SCHEMBL24871014 0.73 GAA (0.51) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2086639 0.73 IDH1 (0.47) GAAMEN1KMT2ABCHEMAOA
Bromide SCHEMBL4352117 0.73 F2R (0.50) GAAMEN1KMT2ABCHEMAOA
Bromide SCHEMBL6750272 0.72 F2R (0.71) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12831873 0.72 SMN1; SMN2 (0.59) GAAMEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 US disclosed
EP-2054412-B1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI AVENTIS (FR) 2009-12-02 EP disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 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 (1 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-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY F2R, TFPI, F2RL1 ACHE 1126/4885GAA 3726/4885MEN1 747/4885

“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.