Bromide

Bromide

SCHEMBL1730255

Br.CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1cccc(C(C)(C)C)c1)C2=N

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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.37
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.38
HDAC8 Q9BY41 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
CTSL P07711 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 SCHEMBL1729276 0.84 MAPT (0.41) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1730444 0.84 F2R (0.37) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14449030 0.83 F2R (0.38) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1732469 0.82 KDM4E (0.37) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1731328 0.82 KDM4E (0.37) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL5493348 0.81 KDM4E (0.36) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1730466 0.81 KDM4E (0.36) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1730798 0.80 F2R (0.42) KDM4EMAPTRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1729841 0.80 KDM4E (0.35) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14449149 0.80 KDM4E (0.35) KDM4EMAPTRAB9ASMN1; 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 ACHE 2759/4885KDM4E 3161/4885MAPT 3483/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ACHE 2748/4885KDM4E 3132/4885MAPT 3440/4885

“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.