Bromide

Bromide

SCHEMBL21847280

Br.O=C(O)NCc1ccccc1

nearest known ligand 0.77

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
CYP2D6 P10635 2/20 0.77
CYP2C19 P33261 2/20 0.77
TSHR P16473 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 2/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 3/20 0.58
ALOX12 P18054 2/20 0.58
HPGD P15428 1/20 0.58
EPHX1 P07099 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MCL1 Q07820 1/20 0.55

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
SCHEMBL27866 0.98 CYP2D6 (0.80) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Hydrogen Sulfide SCHEMBL10338701 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL22534204 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL28383085 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Hydrogen Sulfide SCHEMBL28149655 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Iodide SCHEMBL30583028 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL3219100 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Hydrogen Sulfide SCHEMBL28149656 0.95 CYP2D6 (0.77) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Trimethylammonium SCHEMBL993437 0.89 CYP2C19 (0.69) CYP2D6CYP2C19TSHRCYP1A2CYP2C9
Phosphoric Acid SCHEMBL28155504 0.89 TSHR (0.69) CYP2D6CYP2C19TSHRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 US disclosed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 EP disclosed
CN-110914280-A 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triaza derivatives 阿尤米制药公司 2020-03-24 CN 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 (2 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-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE BRD4, BRD3, BRD2 CYP2D6 3024/4885CYP2C19 4253/4885TSHR 2600/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 CYP2D6 3024/4885CYP2C19 4253/4885TSHR 2600/4885

“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.