Bromide

Bromide

SCHEMBL5483834

Br.Br.CC(C)(C)c1cc(C(=O)CN2Cc3ncccc3C2=N)cc(C(C)(C)C)c1O

nearest known ligand 0.46

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 1/20 0.35
F2R P25116 11/20 0.46
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTRC Q99895 1/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL1731187 0.99 F2R (0.47) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729080 0.83 KDM4E (0.62) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729154 0.78 F2R (0.43) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1730957 0.78 F2R (0.44) F2RALOX5PTGS1PTGS2MEN1
Bromide SCHEMBL1729583 0.78 KDM4E (0.47) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1730978 0.78 KDM4E (0.46) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729353 0.78 KDM4E (0.46) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1729115 0.77 F2R (0.41) F2RALOX5PTGS1PTGS2MEN1
Bromide SCHEMBL1730702 0.77 F2R (0.48) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1728976 0.76 KDM4E (0.45) F2RKDM4EMAPTRAB9ASMN1; SMN2

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 3 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

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 2759/4885F2R 2290/4885KDM4E 3161/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ACHE 2748/4885F2R 2289/4885KDM4E 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.