Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL4437755

Br.Br.N=C(N)SCc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1COC(=S)NN

nearest known ligand 0.40

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
▸ HPGD P15428 4/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ IDO1 P14902 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ GAA P10253 1/20 0.36
▸ CCR5 P51681 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL3680103 0.99 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9ALOX15
Bromide SCHEMBL4442761 0.95 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL3687166 0.94 HPGD (0.42) HPGDCYP1A2CYP2D6CYP2C9ALOX15
Bromide SCHEMBL4448815 0.89 CYP1A2 (0.42) HPGDCYP1A2CYP2D6CYP2C9ALOX15
Bromide SCHEMBL4438817 0.89 ALDH1A1 (0.42) HPGDCYP1A2CYP2D6ALOX15IDO1
SCHEMBL3690762 0.88 CYP1A2 (0.43) HPGDCYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL3691335 0.88 ALDH1A1 (0.43) HPGDCYP1A2CYP2D6ALOX15IDO1
Bromide SCHEMBL4437753 0.88 IDO1 (0.51) HPGDCYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL3680100 0.87 IDO1 (0.52) HPGDCYP1A2CYP2D6CYP2C9ALOX15
Bromide SCHEMBL4436449 0.84 IDO1 (0.44) HPGDCYP1A2IDO1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 — — EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 — — WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 — — 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 HPGD 575/4885CYP1A2 71/4885CYP2D6 70/4885

“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.