Bromide

Bromide

SCHEMBL1731548

Br.Cc1ccc2c(n1)C(=N)N(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCN3C)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 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.40
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 2/20 0.31
SMN1; SMN2 Q16637 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 SCHEMBL1728963 0.91 F2R (0.40) F2RPTGS1PTGS2KDM4EMAPT
Bromide SCHEMBL1729506 0.89 F2R (0.38) F2RPTGS1PTGS2KDM4EMAPT
Bromide SCHEMBL1731074 0.87 F2R (0.36) F2R
SCHEMBL1729479 0.86 F2R (0.36) F2RPTGS1PTGS2KDM4EMAPT
Bromide SCHEMBL1731813 0.83 F2R (0.40) F2RPTGS1PTGS2ALOX5
Bromide SCHEMBL1731819 0.83 PTGS2 (0.51) PTGS1PTGS2ALOX5
Bromide SCHEMBL1730761 0.83 F2R (0.41) F2RPTGS1PTGS2KDM4EMAPT
SCHEMBL14449067 0.82 F2R (0.45) F2RPTGS1PTGS2KDM4EMAPT
Bromide SCHEMBL1730915 0.81 F2R (0.40) F2RPTGS1PTGS2KDM4EMAPT
Bromide SCHEMBL5488877 0.81 F2R (0.39) F2RPTGS1PTGS2MEN1KMT2A

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
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

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 2290/4885PTGS1 1630/4885PTGS2 1313/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885PTGS1 1607/4885PTGS2 1298/4885

“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.