Bromide

Bromide

SCHEMBL2248017

Br.C[C@@H]1CN(c2ccc(Cl)cn2)CCN1

nearest known ligand 0.60

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 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.48
HDAC1 Q13547 1/20 0.48
FGFR1 P11362 3/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
CNR2 P34972 1/20 0.43
ZAP70 P43403 3/20 0.42
GPR119 Q8TDV5 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5269599 0.98 ACVR1 (0.49) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL2246752 0.98 ACVR1 (0.49) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL232428 0.82 ACVR1 (0.50) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL14186234 0.82 ACVR1 (0.50) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL20140822 0.81 ACVR1 (0.49) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL20140748 0.81 ACVR1 (0.49) ACVR1HDAC1FGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL31046079 0.79 ACVR1 (0.48) ACVR1HDAC1FGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL18149422 0.79 ACVR1 (0.50) ACVR1HDAC1FGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL18149424 0.79 ACVR1 (0.50) ACVR1HDAC1FGFR1FGFR2FGFR3
SCHEMBL12683431 0.79 CNR2 (0.46) CNR2GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 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 (2 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD ACVR1 1018/4885HDAC1 656/4885FGFR1 3468/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ACVR1 1032/4885HDAC1 614/4885FGFR1 3328/4885

“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.