Bromide

Bromide

SCHEMBL5755353

Br.Nc1cccc(OCc2ccccc2)n1

nearest known ligand 0.48

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
NUDT1 P36639 1/20 0.48
TRPV3 Q8NET8 1/20 0.47
MAOB P27338 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
DCPS Q96C86 1/20 0.44
MPO P05164 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
MGMT P16455 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL2144937 0.98 NUDT1 (0.49) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL2524154 0.87 L3MBTL1 (0.52) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL31375611 0.78 MAOB (0.53) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL17459263 0.78 MAOB (0.53) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL13884791 0.77 NUDT1 (0.57) NUDT1MAOBMAPTL3MBTL1GAA
SCHEMBL2037015 0.77 NUDT1 (0.47) NUDT1MAOBMAPTL3MBTL1GAA
SCHEMBL23121539 0.77 TRPV3 (0.52) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL30931690 0.77 TRPV3 (0.52) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL1563576 0.76 GABRA5 (0.55) NUDT1TRPV3MAOBMAPTL3MBTL1
SCHEMBL229009 0.76 GRM5 (0.46) NUDT1TRPV3MAPTL3MBTL1MAPK1

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 NUDT1 10/4885TRPV3 3231/4885MAOB 378/4885

“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.