Bromide

Bromide

SCHEMBL5484838

Br.CC(C)(C)c1cc(CN2CCN(CC(=O)O)CC2)cc(C(=O)CN2Cc3ccc(C(C)(C)C)cc3C2=N)c1

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2R P25116 3/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 4/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CYP2C9 P11712 1/20 0.33
DDR1 Q08345 2/20 0.33
DDR2 Q16832 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.32

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 SCHEMBL1731453 0.88 KDM4E (0.37) MAPTKDM4ERAB9ASMN1; SMN2F2R
Bromide SCHEMBL5494507 0.84 F2R (0.38) MAPTKDM4ERAB9ASMN1; SMN2F2R
Bromide SCHEMBL5486542 0.82 F2R (0.36) MAPTKDM4ERAB9ASMN1; SMN2F2R
Bromide SCHEMBL5484791 0.81 F2R (0.45) MAPTKDM4ERAB9ASMN1; SMN2F2R
Bromide SCHEMBL5490632 0.80 F2R (0.46) MAPTKDM4ERAB9ASMN1; SMN2F2R
Bromide SCHEMBL5488494 0.78 F2R (0.67) F2R
Bromide SCHEMBL5485321 0.78 F2R (0.59) KDM4EF2RMEN1KMT2AALDH1A1
Bromide SCHEMBL1730702 0.77 F2R (0.48) MAPTKDM4ERAB9ASMN1; SMN2F2R
Bromide SCHEMBL1731717 0.74 F2R (0.31) F2RMEN1KMT2ADDR1
Bromide SCHEMBL1732862 0.73 F2R (0.39) MAPTKDM4ERAB9AF2RNPC1

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

“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.