Bromide

Bromide

SCHEMBL5756062

Br.Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.96

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
ADRB1 known ✓ P08588 1/20 0.42
ADRB2 known ✓ P07550 1/20 0.38
NOS3 P29474 4/20 0.96
NOS2 P35228 4/20 0.96
DYRK1A Q13627 2/20 0.49
NOS1 P29475 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BACE1 P56817 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
CA2 P00918 1/20 0.42
CHKA P35790 1/20 0.42
MAPT P10636 1/20 0.40
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 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
SCHEMBL29432593 0.98 NOS3 (1.00) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL59927 0.98 NOS3 (1.00) NOS3NOS2DYRK1ANOS1KDM4E
Hydrochloric Acid SCHEMBL31372470 0.96 NOS3 (0.96) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL9629714 0.81 NOS3 (0.69) NOS3NOS2DYRK1AKDM4EBACE1
SCHEMBL16671291 0.81 NOS3 (0.70) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL14637261 0.81 NOS3 (0.70) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL16637988 0.81 NOS3 (0.70) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL2640650 0.78 NOS3 (0.63) NOS3NOS2KDM4EMAPT
SCHEMBL22670291 0.76 NOS3 (0.63) NOS3NOS2DYRK1ANOS1KDM4E
SCHEMBL16671313 0.76 NOS3 (0.63) NOS3NOS2DYRK1ANOS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148242-B2 N-formyl hydroxylamine compounds, compositions and methods of use NOVARTIS AG (CH) 2006-12-12 US disclosed
EP-1401828-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF VICURON PHARM INC (US) 2006-04-12 EP disclosed
EP-1401828-A1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF Vicuron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
US-20030045479-A1 Novel N-formyl hydroxylamine compounds, compositions and methods of use VICURON HOLDINGS LLC 2003-03-06 US disclosed
WO-2002102790-A1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF VICURON PHARMACEUTICALS INC. (US) 2002-12-27 WO 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-20030045479-A1 Novel N-formyl hydroxylamine compounds, compositions and methods of use PDF, HNMT, AADAC ADRB1 3953/4885ADRB2 4114/4885NOS3 1675/4885

“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.