Bromide

Bromide

SCHEMBL1729985

Br.CN(c1cc(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)cc(C(C)(C)C)c1)S(C)(=O)=O

nearest known ligand 0.31

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 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30

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 SCHEMBL1730548 0.91 KDM4E (0.32) RAB9AKDM4ENPC1MAPT
Bromide SCHEMBL1730045 0.84 F2R (0.32) RAB9AKDM4ENPC1MAPT
Bromide SCHEMBL1730633 0.82 ACHE (0.40) RAB9AALDH1A1MAPK1KMT2AKDM4E
Bromide SCHEMBL5486542 0.78 F2R (0.36) RAB9AMEN1ALDH1A1KMT2AKDM4E
SCHEMBL14449091 0.78 F2R (0.41) RAB9AMEN1KMT2AKDM4EMAPT
Bromide SCHEMBL1730028 0.78 F2R (0.38) RAB9AKDM4ENPC1MAPT
Bromide SCHEMBL1729690 0.76 F2R (0.35) RAB9AKDM4ENPC1MAPT
Bromide SCHEMBL1729916 0.76 F2R (0.44) RAB9AKDM4ENPC1MAPT
Bromide SCHEMBL5487328 0.76 F2R (0.43) RAB9AKDM4ENPC1MAPT
Bromide SCHEMBL1731020 0.76 F2R (0.41) RAB9AALDH1A1KDM4ENPC1MAPT

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 RAB9A 429/4885MEN1 891/4885ALDH1A1 443/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 RAB9A 418/4885MEN1 859/4885ALDH1A1 437/4885

“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.