Bromide

Bromide

SCHEMBL1730853

Br.CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccccc1)C2

nearest known ligand 0.51

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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.50
F2R P25116 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL5488310 0.92 MAPT (0.44) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1730972 0.91 MAPT (0.47) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1729176 0.90 MAPT (0.45) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1731167 0.89 MAPT (0.45) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1729276 0.89 MAPT (0.41) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1729892 0.88 MAPT (0.39) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1731550 0.88 MAPT (0.40) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL6543733 0.87 MAPT (0.43) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1731985 0.86 MAPT (0.42) MAPTRAB9AKDM4ESMN1; SMN2NPC1
Bromide SCHEMBL1731005 0.86 MAPT (0.42) MAPTRAB9AKDM4ESMN1; SMN2NPC1

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 MAPT 3483/4885RAB9A 429/4885KDM4E 3161/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3440/4885RAB9A 418/4885KDM4E 3132/4885

“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.