Bromide

Bromide

SCHEMBL5494507

Br.CCc1ccc2c(n1)C(=N)N(CC(=O)c1cc(CN3CCN(CC(=O)O)CC3)cc(C(C)(C)C)c1)C2

nearest known ligand 0.38

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
F2R P25116 3/20 0.38
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 3/20 0.32
TEK Q02763 2/20 0.31
DDR1 Q08345 3/20 0.31
DDR2 Q16832 2/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCN9A Q15858 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 SCHEMBL1731717 0.90 F2R (0.31) F2RMEN1KMT2ADDR1
Bromide SCHEMBL5486542 0.87 F2R (0.36) F2RALDH1A1MEN1KMT2AMAPT
Bromide SCHEMBL5484838 0.84 MAPT (0.41) F2RALDH1A1MEN1KMT2AMAPT
Bromide SCHEMBL1731986 0.79 F2R (0.32) F2R
Bromide SCHEMBL1730897 0.78 F2R (0.42) F2RMEN1KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL1730432 0.77 FURIN (0.33) F2RMEN1KMT2ATEK
SCHEMBL14449085 0.77 F2R (0.43) F2RMEN1KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL1731242 0.76 ALDH1A1 (0.39) F2RALDH1A1MEN1KMT2AMAPT
Bromide SCHEMBL1729851 0.76 KDM4E (0.35) F2RMAPTSMN1; SMN2KDM4ERAB9A
Bromide SCHEMBL5491820 0.75 F2R (0.35) F2RMAPTSMN1; SMN2KDM4ERAB9A

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 F2R 2290/4885ALDH1A1 443/4885MEN1 891/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885ALDH1A1 437/4885MEN1 859/4885

“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.