Bromide

Bromide

SCHEMBL1729157

Br.CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.69

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 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.69
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL14449142 0.99 F2R (0.69) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1731007 0.96 F2R (0.65) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL5491806 0.94 F2R (0.61) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1730396 0.94 F2R (0.60) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL14449151 0.93 F2R (0.59) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730464 0.92 F2R (0.69) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL5490738 0.92 F2R (0.59) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1729568 0.92 F2R (0.58) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1729420 0.91 F2R (0.70) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL5487388 0.91 F2R (0.69) F2RALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1614680-A2 Process for preparing 2-iminopyrrolidine derivatives Eisai Co., Ltd. (JP) 2006-01-11 EP 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 (3 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
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 F2R 8/4885ALDH1A1 2037/4885MEN1 4466/4885

“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.