Bromide

Bromide

SCHEMBL6284151

Br.CCc1ccc(C(=O)C(Br)c2ccncc2)cc1

nearest known ligand 0.45

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
CHRM2 known ✓ P08172 1/20 0.40
ADRA2B known ✓ P18089 1/20 0.40
ADRA2C known ✓ P18825 1/20 0.40
CHRM3 known ✓ P20309 1/20 0.40
SIGMAR1 known ✓ Q99720 1/20 0.40
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ITK Q08881 1/20 0.41
PLK1 P53350 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7142545 0.98 RAB9A (0.46) RAB9AALDH1A1MAPTHTTSMN1; SMN2
Bromide SCHEMBL6285577 0.88 KMT2A (0.45) RAB9AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL7140352 0.87 KMT2A (0.46) RAB9AALDH1A1MAPTHTTSMN1; SMN2
Bromide SCHEMBL6282038 0.86 RARB (0.46) RAB9AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL7148129 0.84 RARB (0.47) RAB9AALDH1A1MAPTHTTSMN1; SMN2
Bromide SCHEMBL6276185 0.84 THRA (0.49) ALDH1A1MAPTTRPV1KMT2A
Bromide SCHEMBL6635567 0.84 RAB9A (0.38) RAB9AMAPTHTTSMN1; SMN2ITK
Bromide SCHEMBL6283033 0.83 MAPK14 (0.39) RAB9AALDH1A1MAPTLMNANAMPT
Bromide SCHEMBL6281988 0.83 TRPV1 (0.51) RAB9AALDH1A1MAPTHTTSMN1; SMN2
Bromide SCHEMBL6282584 0.83 ALDH1A1 (0.41) RAB9AALDH1A1HTTSMN1; SMN2ITK

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 CHRM2 1723/4885ADRA2B 2577/4885ADRA2C 2140/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CHRM2 2804/4885ADRA2B 2205/4885ADRA2C 1408/4885

“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.