Bromide

Bromide

SCHEMBL2293053

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

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 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAD52 P43351 1/20 0.40
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 1/20 0.38
DGKA P23743 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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 SCHEMBL1412161 0.99 NAAA (0.47) NAAAMEN1KMT2ANPSR1RAD52
Bromide SCHEMBL2292017 0.99 NAAA (0.47) NAAAMEN1KMT2ANPSR1RAD52
Bromide SCHEMBL2761053 0.99 NAAA (0.47) NAAAMEN1KMT2ANPSR1RAD52
SCHEMBL2782995 0.98 NAAA (0.46) NAAAMEN1KMT2ANPSR1RAD52
Bromide SCHEMBL2296147 0.95 MEN1 (0.43) NAAAMEN1KMT2AL3MBTL1MAPK1
SCHEMBL2288344 0.94 MEN1 (0.44) NAAAMEN1KMT2AL3MBTL1MAPK1
Bromide SCHEMBL2760616 0.89 ALDH1A1 (0.43) NAAAMEN1KMT2ANPSR1L3MBTL1
Bromide SCHEMBL2291109 0.87 MEN1 (0.37) NAAAMEN1KMT2AL3MBTL1TSHR
Hydrochloric Acid SCHEMBL1412445 0.84 NAAA (0.47) NAAAMEN1KMT2ANPSR1RAD52
Bromide SCHEMBL2289747 0.84 ALDH1A1 (0.36) MEN1KMT2ADGKAALDH1A1

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 NAAA 3748/4885MEN1 3355/4885KMT2A 3862/4885

“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.