Bromide

Bromide

SCHEMBL3528020

Br.NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCCCNC(=O)c1ccc(C(=O)NCCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.51

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
HTR1A known ✓ P08908 1/20 0.51
ADRA1A known ✓ P35348 1/20 0.51
SCNN1A P37088 15/20 0.51
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 6/20 0.51
HSD17B10 Q99714 6/20 0.51
GLA P06280 5/20 0.51
CYP1A2 P05177 4/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 3/20 0.51
CYP2D6 P10635 3/20 0.51
PLAU P00749 2/20 0.51
FTO Q9C0B1 2/20 0.51
BLM P54132 2/20 0.51
SLC22A1 O15245 1/20 0.51
TSHR P16473 1/20 0.51
SLC9A1 P19634 1/20 0.51
MAOA P21397 1/20 0.51
ADORA2A P29274 1/20 0.51

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
SCHEMBL13165427 0.99 SCNN1A (0.52) SCNN1AALDH1A1KDM4EHPGDHSD17B10
Bromide SCHEMBL4693426 0.91 PLAU (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
Bromide SCHEMBL4789645 0.89 PLAU (0.60) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5014171 0.89 SCNN1A (0.52) SCNN1AALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL938745 0.88 SCNN1A (0.52) SCNN1A
SCHEMBL3528017 0.87 SCNN1A (0.43) SCNN1AALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL4693836 0.87 KDM4E (0.62) SCNN1AALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL937656 0.87 SCNN1A (0.50) SCNN1A
SCHEMBL13165429 0.86 PLAU (0.58) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3528728 0.86 PLAU (0.58) SCNN1AALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 HTR1A 70/4885ADRA1A 25/4885SCNN1A 13/4885

“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.