Bromide

Bromide

SCHEMBL5487347

Br.CCc1ccc2c(n1)C(=N)N(CC(=O)c1ccc3c(c1)C(C)(C)C(C)N3C)C2

nearest known ligand 0.37

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
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4A O75164 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1731338 0.99 MAPT (0.38) MAPTSMN1; SMN2MEN1KDM4APOLB
Bromide SCHEMBL1731333 0.85 KDM4E (0.36) MAPTSMN1; SMN2KDM4ERAB9ANPC1
Bromide SCHEMBL1730179 0.83 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AKDM4E
Bromide SCHEMBL1729724 0.82 HDAC1 (0.40) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27506131 0.82 MEN1 (0.37) MAPTSMN1; SMN2MEN1KDM4APOLB
Bromide SCHEMBL1731997 0.79 PTGDR2 (0.34) MAPTSMN1; SMN2THRBKDM4ERAB9A
Bromide SCHEMBL1729683 0.79 KDM4E (0.36) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27527450 0.78 HSD11B1 (0.36) MAPTSMN1; SMN2KDM4ERAB9ANPC1
Bromide SCHEMBL5488725 0.77 F2R (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
Bromide SCHEMBL1729866 0.77 PTGS2 (0.37) MAPTSMN1; SMN2KDM4ERAB9ANPC1

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 MAPT 3483/4885SMN1; SMN2 2355/4885MEN1 891/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3440/4885SMN1; SMN2 2369/4885MEN1 859/4885

“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.