Bromide

Bromide

SCHEMBL6284654

Br.O=C(c1cccc(Cl)c1)C(Br)c1ccncc1

nearest known ligand 0.49

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
SLC6A2 known ✓ P23975 3/20 0.43
SLC6A4 known ✓ P31645 2/20 0.43
SLC6A3 known ✓ Q01959 2/20 0.43
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
PARP1 P09874 1/20 0.44
CHRNA1 P02708 2/20 0.43
CHRNG P07510 2/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRND Q07001 2/20 0.43
ITGA5 P08648 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
CHRNA7 P36544 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7149123 0.98 TDP1 (0.50) TDP1SMN1; SMN2PARP1SLC6A2CHRNA1
Bromide SCHEMBL6280473 0.86 MAPK1 (0.41) TDP1SMN1; SMN2ALDH1A1MEN1KMT2A
Bromide SCHEMBL6283192 0.85 NPSR1 (0.51) TDP1SMN1; SMN2ALDH1A1GRM5MEN1
SCHEMBL7141524 0.83 NPSR1 (0.52) TDP1SMN1; SMN2ALDH1A1GRM5MEN1
Bromide SCHEMBL3888929 0.82 PARP1 (0.42) TDP1SMN1; SMN2PARP1SLC6A2CHRNA1
Bromide SCHEMBL3894827 0.82 SLC6A2 (0.39) TDP1SMN1; SMN2PARP1SLC6A2CHRNA1
Bromide SCHEMBL6283062 0.82 NT5E (0.51) SMN1; SMN2PARP1SLC6A2CHRNA1CHRNG
Bromide SCHEMBL6285189 0.82 CES2 (0.51) PARP1SLC6A2CHRNB2CHRNB4CHRNA3
Bromide SCHEMBL6286087 0.81 CYP19A1 (0.47) SMN1; SMN2MEN1KMT2AALOX15MAPK14
Bromide SCHEMBL6285221 0.81 ALDH1A1 (0.40) TDP1SMN1; SMN2ALDH1A1KDM4EALOX15

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-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 SLC6A2 4327/4885SLC6A4 4742/4885SLC6A3 4560/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 SLC6A2 2202/4885SLC6A4 2106/4885SLC6A3 3378/4885

“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.