Bromide

Bromide

SCHEMBL5484900

Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1ccc3c(c1)C(C)(C)CC(=O)N3C)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 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.51
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
THRB P10828 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
RXRA P19793 3/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
HNF4A P41235 1/20 0.30
TP53 P04637 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 SCHEMBL1729637 0.90 F2R (0.52) F2RHDAC1HDAC6KDM4ENPC1
Bromide SCHEMBL1730041 0.89 F2R (0.52) F2RTHRBKDM4ENPC1MAPT
Bromide SCHEMBL1732128 0.89 F2R (0.54) F2RTHRBKDM4ENPC1MAPT
Bromide SCHEMBL1729617 0.89 F2R (0.47) F2RHDAC1HDAC6HDAC3HDAC4
SCHEMBL27506510 0.88 F2R (0.48) F2RHDAC1HDAC6HDAC3HDAC4
Bromide SCHEMBL1731971 0.84 F2R (0.54) F2RTHRBKDM4ENPC1MAPT
Bromide SCHEMBL1730627 0.84 F2R (0.49) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1729623 0.83 F2R (0.52) F2RTHRBKDM4ENPC1MAPT
SCHEMBL27508138 0.83 F2R (0.50) F2RRXRARARBHNF4A
Bromide SCHEMBL1729488 0.83 F2R (0.52) F2RKDM4ENPC1MAPTRAB9A

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 2290/4885HDAC1 648/4885HDAC6 1635/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885HDAC1 649/4885HDAC6 1657/4885

“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.