Bromide

Bromide

SCHEMBL1730838

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

nearest known ligand 0.46

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
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2R P25116 2/20 0.38
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35

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 SCHEMBL5486564 0.91 MAPT (0.40) MEN1KMT2AMAPTRAB9AKDM4E
Bromide SCHEMBL5486683 0.90 F2R (0.41) MEN1KMT2AMAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL1732022 0.90 PTGDR (0.38) MEN1KMT2AMAPTRAB9AKDM4E
Bromide SCHEMBL5490703 0.89 F2R (0.43) MEN1KMT2AMAPTRAB9AKDM4E
Bromide SCHEMBL1729176 0.88 MAPT (0.45) MAPTRAB9AKDM4ENPC1LMNA
Bromide SCHEMBL1730898 0.86 F2R (0.45) MEN1KMT2AMAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL5483217 0.86 F2R (0.42) MEN1KMT2AMAPTRAB9AKDM4E
Bromide SCHEMBL5483235 0.86 KDM4E (0.43) MEN1KMT2AMAPTRAB9AKDM4E
Bromide SCHEMBL1731494 0.85 MAPT (0.43) MEN1KMT2AMAPTRAB9AKDM4E
Bromide SCHEMBL5486569 0.85 F2R (0.49) MAPTRAB9AKDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
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 MEN1 891/4885KMT2A 2082/4885MAPT 3483/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MEN1 859/4885KMT2A 2110/4885MAPT 3440/4885

“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.