Bromide

Bromide

SCHEMBL5484791

Br.CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(CN3CCN(CC(=O)O)CC3)cc(C(C)(C)C)c1)C2

nearest known ligand 0.45

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
F2R P25116 6/20 0.45
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MDM2 Q00987 1/20 0.32
HDAC1 Q13547 1/20 0.32
PARP1 P09874 1/20 0.32
DDR1 Q08345 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
SSTR5 P35346 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
DDR2 Q16832 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 SCHEMBL1732862 0.92 F2R (0.39) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1731664 0.90 F2R (0.38) F2RSSTR5
Bromide SCHEMBL1731291 0.89 F2R (0.39) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5490632 0.85 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL5491927 0.83 F2R (0.38) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1731450 0.83 F2R (0.38) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1731167 0.83 MAPT (0.45) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729276 0.82 MAPT (0.41) F2RKDM4EMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL1732177 0.81 F2R (0.40) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5488494 0.81 F2R (0.67) F2RSSTR5

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 F2R 2290/4885KDM4E 3161/4885MAPT 3483/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885KDM4E 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.