Bromide

Bromide

SCHEMBL5486564

Br.CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccc(OCC(=O)O)c(CC)c1)C2

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
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
F2R P25116 6/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CREBBP Q92793 1/20 0.33
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK1 P53350 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
PTGDR Q13258 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
RAD52 P43351 1/20 0.31

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
Bromide SCHEMBL1730838 0.91 MEN1 (0.46) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5490703 0.90 F2R (0.43) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729176 0.89 MAPT (0.45) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729431 0.88 MAPT (0.42) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731505 0.88 KDM4E (0.38) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1732022 0.87 PTGDR (0.38) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5483217 0.87 F2R (0.42) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730853 0.85 MAPT (0.51) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5488215 0.84 F2R (0.42) MAPTKDM4ERAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730972 0.84 MAPT (0.47) MAPTKDM4ERAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP 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 (2 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3483/4885KDM4E 3161/4885RAB9A 429/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3440/4885KDM4E 3132/4885RAB9A 418/4885

“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.