Bromide

Bromide

SCHEMBL6748412

Br.CCOC(=O)C(C)Oc1ccccc1Cn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21

nearest known ligand 0.60

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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 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.60
TP53 P04637 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
CXCR3 P49682 1/20 0.40

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
Hydrochloric Acid SCHEMBL6748472 0.89 F2R (0.66) F2RMAPTALDH1A1MITFLMNA
Bromide SCHEMBL6750422 0.87 F2R (0.67) F2RTP53MAPTALDH1A1MITF
Bromide SCHEMBL6860986 0.85 F2R (0.70) F2RTP53MAPTALDH1A1MITF
Bromide SCHEMBL6750289 0.84 F2R (0.64) F2RMAPTALDH1A1MITFLMNA
Bromide SCHEMBL6746523 0.84 F2R (0.65) F2RTP53MAPTALDH1A1MITF
Bromide SCHEMBL6746430 0.84 F2R (0.65) F2RMAPTALDH1A1MITFLMNA
Bromide SCHEMBL6750279 0.82 F2R (0.63) F2RTP53MAPTALDH1A1MITF
Bromide SCHEMBL6752734 0.82 F2R (0.74) F2RMAPTALDH1A1MITFLMNA
Bromide SCHEMBL6752875 0.82 F2R (0.67) F2RTP53MAPTALDH1A1MITF
Bromide SCHEMBL6748350 0.80 F2R (0.65) F2RTP53MAPTALDH1A1MITF

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-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 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-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 F2R 4027/4885TP53 2515/4885MAPT 4077/4885

“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.