Bromide

Bromide

SCHEMBL2355283

C[N+](C)(CC[N+](C)(C)Cc1ccccc1)Cc1ccccc1.[Br-].[Br-]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
CHRM3 known ✓ P20309 4/20 0.44
CHRM2 known ✓ P08172 3/20 0.41
CHRM4 known ✓ P08173 3/20 0.41
CHRM5 known ✓ P08912 3/20 0.41
CHRM1 known ✓ P11229 3/20 0.41
ACHE known ✓ P22303 2/20 0.41
OPRM1 known ✓ P35372 1/20 0.41
DNM1 Q05193 2/20 0.68
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TP53 P04637 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 4/20 0.60
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
RAD52 P43351 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL5963139 0.97 DNM1 (0.67) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL14937200 0.91 DNM1 (0.81) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL1243173 0.90 ALDH1A1 (0.64) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL5088604 0.89 DNM1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL13326548 0.89 DNM1 (0.58) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL12762153 0.88 DNM1 (0.81) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL374778 0.87 ALDH1A1 (0.67) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL20213856 0.87 DNM1 (0.59) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL935685 0.86 DNM1 (0.60) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL4454094 0.86 DNM1 (0.85) DNM1MEN1KMT2ATP53SMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172191-A1 STABLE ETHYLENE INHIBITING COMPOUNDS AND METHODS FOR THEIR PREPARATION AGROFRESH, INC. 2013-07-04 US disclosed
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS JACOBSON RICHARD MARTIN 2011-08-04 US disclosed
EP-1408751-B1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2010-09-01 EP disclosed
US-20100184600-A1 Stable Ethylene Inhibiting Compounds and Methods for Their Preparation AGROFRESH, INC. 2010-07-22 US disclosed
EP-1408751-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2009-07-15 EP disclosed
EP-1408752-B1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2006-11-08 EP disclosed
US-7041625-B2 Method to inhibit ethylene responses in plants ROHM AND HAAS COMPANY (US) 2006-05-09 US disclosed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
US-20050065033-A1 Method to inhibit ethylene responses in plants JACOBSON RICHARD MARTIN (US) 2005-03-24 US disclosed
US-20050043179-A1 Method to inhibit ethylene responses in plants AGROFRESH, INC. 2005-02-24 US disclosed
US-6548448-B2 Delivery systems for cyclopropenes ROHM AND HAAS COMPANY 2003-04-15 US disclosed
US-20020198107-A1 Delivery systems for cyclopropenes AGROFRESH, INC. 2002-12-26 US disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed
WO-2002068609-A2 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed
WO-2002067678-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed
EP-1236397-A2 Delivery systems for cyclopropenes ROHM AND HAAS COMPANY (US) 2002-09-04 EP disclosed
EP-1233669-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2002-08-28 EP disclosed
US-6365549-B2 PRESERVATION NORTH CAROLINA STATE UNIVERSITY 2002-04-02 US disclosed
US-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives NORTH CAROLINA STATE UNIVERSITY 2001-09-06 US disclosed
WO-2001037663-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2001-05-31 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 (7 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-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives PRUNE1, NOTUM, FAR1 CHRM3 899/4885CHRM2 702/4885CHRM4 1448/4885
US-20050065033-A1 Method to inhibit ethylene responses in plants ERN1, CTH, CBS CHRM3 3098/4885CHRM2 2998/4885CHRM4 3407/4885
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ERN1, CTH, CBR3 CHRM3 3009/4885CHRM2 2951/4885CHRM4 3356/4885
US-20100184600-A1 Stable Ethylene Inhibiting Compounds and Methods for Their Preparation ECE1, ECE2, EI24 CHRM3 2365/4885CHRM2 2086/4885CHRM4 2750/4885
US-20130172191-A1 STABLE ETHYLENE INHIBITING COMPOUNDS AND METHODS FOR THEIR PREPARATION ECE1, ECE2, EI24 CHRM3 2365/4885CHRM2 2086/4885CHRM4 2750/4885
US-20050043179-A1 Method to inhibit ethylene responses in plants ERN1, ECE1, ECE2 CHRM3 2763/4885CHRM2 2958/4885CHRM4 3072/4885
US-20020198107-A1 Delivery systems for cyclopropenes FKBP2, FKBP4, FKBP1A CHRM3 1746/4885CHRM2 2252/4885CHRM4 1624/4885

“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.