Bromide

Bromide

SCHEMBL2296147

Br.CCCCOC(=O)CN1C=CN(C)C1

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 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 1/20 0.41
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.36
ATM Q13315 1/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 1/20 0.35
DGKA P23743 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 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
SCHEMBL2288344 0.98 MEN1 (0.44) MEN1KMT2ATSHRL3MBTL1ALOX15
Bromide SCHEMBL2293053 0.95 NAAA (0.45) MEN1KMT2ATSHRL3MBTL1ALOX15
Bromide SCHEMBL1412161 0.94 NAAA (0.47) MEN1KMT2ATSHRL3MBTL1NAAA
Bromide SCHEMBL2761053 0.94 NAAA (0.47) MEN1KMT2ATSHRL3MBTL1NAAA
Bromide SCHEMBL2292017 0.94 NAAA (0.47) MEN1KMT2ATSHRL3MBTL1NAAA
SCHEMBL2782995 0.94 NAAA (0.46) MEN1KMT2ATSHRL3MBTL1ALOX15
Bromide SCHEMBL2291109 0.92 MEN1 (0.37) MEN1KMT2ATSHRL3MBTL1ALOX15
Bromide SCHEMBL2760616 0.91 ALDH1A1 (0.43) MEN1KMT2ATSHRL3MBTL1ALOX15
Bromide SCHEMBL2289747 0.85 ALDH1A1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2DGKA
Bromide SCHEMBL2291320 0.85 ALDH1A1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555394-B2 Method of making ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
US-20140057048-A1 METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-27 US disclosed
US-8623279-B2 Ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2014-01-07 US disclosed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US disclosed
US-20120128551-A1 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2012-05-24 US disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 US disclosed
WO-2010135660-A2 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-11-25 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-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 MEN1 3355/4885KMT2A 3862/4885TSHR 2999/4885

“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.