Bromide

Bromide

SCHEMBL532137

Br.Cl.NCCCN1C=CN(Cc2ccccc2)C1

nearest known ligand 0.46

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
SIGMAR1 known ✓ Q99720 4/20 0.46
MAOA P21397 1/20 0.40
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 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 SCHEMBL530874 0.98 SIGMAR1 (0.47) SIGMAR1MAOACYP2D6KDM4EALDH1A1
Bromide SCHEMBL530794 0.93 SIGMAR1 (0.49) SIGMAR1MAOACYP2D6KDM4EMEN1
Bromide SCHEMBL531215 0.88 SIGMAR1 (0.42) SIGMAR1MAOAKDM4ESMN1; SMN2HTR2A
Bromide SCHEMBL1046639 0.84 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1POLBF2
Hydrochloric Acid SCHEMBL9343069 0.84 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1POLBF2
Bromide SCHEMBL1178793 0.83 CYP11B1 (0.41) SIGMAR1KDM4EMEN1USP2POLB
Hydrochloric Acid SCHEMBL31186936 0.83 ALDH1A1 (0.46) SIGMAR1CYP2D6ALDH1A1
Bromide SCHEMBL31115579 0.83 SIGMAR1 (0.37) SIGMAR1KDM4EALDH1A1TDP1MEN1
SCHEMBL1044027 0.82 SIGMAR1 (0.52) SIGMAR1KDM4EALDH1A1POLBF2
SCHEMBL1047169 0.81 CYP11B1 (0.42) SIGMAR1KDM4ETDP1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 SIGMAR1 1959/4885MAOA 560/4885CYP2D6 922/4885

“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.