Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL6417388

Br.COC1(Oc2ccccc2)COCCN1Cc1ccccc1

nearest known ligand 0.41

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
▸ SIGMAR1 known ✓ Q99720 4/20 0.41
▸ HTR1A known ✓ P08908 2/20 0.33
▸ SLC6A3 known ✓ Q01959 2/20 0.33
▸ CHRM2 known ✓ P08172 1/20 0.33
▸ CHRM3 known ✓ P20309 1/20 0.33
▸ ADRA1D known ✓ P25100 1/20 0.33
▸ ADRA1A known ✓ P35348 1/20 0.33
▸ ADRA1B known ✓ P35368 1/20 0.33
▸ ADRA2A known ✓ P08913 1/20 0.33
▸ ADRA2B known ✓ P18089 1/20 0.33
▸ ADRA2C known ✓ P18825 1/20 0.33
▸ SLC6A2 known ✓ P23975 1/20 0.33
▸ SLC6A4 known ✓ P31645 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ACP1 P24666 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4946970 0.99 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHTTSIGMAR1
Hydrochloric Acid SCHEMBL6416217 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL4945693 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTSIGMAR1
Citric Acid SCHEMBL6415789 0.85 SLC13A5 (0.39) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL6132960 0.73 JAK2 (0.44) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL6133048 0.72 MEN1 (0.39) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL6132839 0.70 SIGMAR1 (0.41) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL2072649 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL6133227 0.69 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL2770419 0.68 MCHR1 (0.42) ALDH1A1KDM4EHPGDHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 — — 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 SIGMAR1 9/4885HTR1A 13/4885SLC6A3 104/4885

“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.