Bromide

Bromide

SCHEMBL1243629

Br.Br.C[C@H](N)C(=O)Nc1ccc(C=CC2N(C)c3ccccc3C2(C)C)cc1

nearest known ligand 0.43

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
▸ TAAR1 Q96RJ0 2/20 0.43
▸ XIAP P98170 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ MEN1 O00255 8/20 0.37
▸ MAPT P10636 8/20 0.37
▸ KMT2A Q03164 8/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ RECQL P46063 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14434778 0.78 APP (0.39) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL29653731 0.76 APP (0.34) MEN1MAPTKMT2AMAPK1LMNA
SCHEMBL13698927 0.76 APP (0.34) MEN1MAPTKMT2AMAPK1LMNA
SCHEMBL29012247 0.76 APP (0.34) MEN1MAPTKMT2AMAPK1LMNA
SCHEMBL30139605 0.73 HPGD (0.33) MEN1MAPTKMT2AALDH1A1MAPK1
Bromide SCHEMBL1227486 0.73 APP (0.41) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL30139606 0.73 KDM4E (0.32) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL1226875 0.72 APP (0.42) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL1226876 0.72 APP (0.42) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9812776 0.71 RELA (0.45) MEN1MAPTKMT2AALDH1A1MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459733-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP claimed
US-8535902-B2 Peptidase substrates bioMërieux, S.A. 2013-09-17 — — US claimed
EP-2459733-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP claimed
US-20120129203-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-24 — — US claimed
WO-2011012807-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO claimed
EP-2459733-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP disclosed
US-8535902-B2 Peptidase substrates bioMërieux, S.A. 2013-09-17 — — US disclosed
EP-2459733-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP disclosed
US-20120129203-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-24 — — US disclosed
WO-2011012807-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO 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 (1 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-20120129203-A1 Novel Peptidase Substrates CTRL, CPB1, ANPEP TAAR1 790/4885XIAP 3952/4885LTA4H 178/4885

“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.

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