Bromide

Bromide

SCHEMBL3576414

Br.CCOC(=O)Cn1ccccc1=N

nearest known ligand 0.50

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
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3576418 0.98 KDM4E (0.51) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL27978196 0.83 CREBBP (0.51) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL2851306 0.81 ALDH1A1 (0.55) KDM4ETSHRALDH1A1MAPTLMNA
SCHEMBL16867095 0.76 ALDH1A1 (0.48) KDM4ETSHRHSD17B10ALDH1A1MAPT
Bromide SCHEMBL7918168 0.76 PPARG (0.44) TSHRHPGDHSD17B10ALDH1A1MAPT
Bromide SCHEMBL11028063 0.76 POLB (0.45) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL31528647 0.76 FPR2 (0.45) KDM4EALDH1A1LMNAGSK3AGSK3B
Hydrochloric Acid SCHEMBL5450987 0.76 BCHE (0.45) KDM4ETSHRHPGDHSD17B10ALDH1A1
SCHEMBL2237187 0.76 ALDH1A1 (0.50) KDM4ETSHRALDH1A1MAPTLMNA
SCHEMBL3719707 0.74 KDM4E (0.53) KDM4ETSHRHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074121-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP disclosed
US-8193214-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-20100029637-A1 Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
EP-2074121-A1 CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008045688-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-17 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-20100029637-A1 Chymase Inhibitors CMA1, CPA3, SERPINB1 KDM4E 3782/4885TSHR 3397/4885HPGD 1813/4885

“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.