Bromide

Bromide

SCHEMBL6284308

Br.CC(C)c1ccc(C(=O)C(Br)c2ccncc2)cc1

nearest known ligand 0.41

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
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
CYP2C9 P11712 1/20 0.40
USP5 P45974 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HDAC3 O15379 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
SCHEMBL7141616 0.98 RAB9A (0.42) RAB9ANPC1ROCK2ROCK1CYP2C9
Bromide SCHEMBL6286087 0.85 CYP19A1 (0.47) ROCK2ROCK1LMNAKMT2AMEN1
Bromide SCHEMBL6282584 0.85 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1LMNAKMT2A
SCHEMBL7144679 0.83 CYP19A1 (0.48) ROCK2ROCK1LMNAKMT2AMEN1
SCHEMBL7147231 0.83 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1LMNAKMT2A
Bromide SCHEMBL2795481 0.82 LTA4H (0.53) RAB9ALMNAKMT2AMEN1CYP3A4
Bromide SCHEMBL6285221 0.82 ALDH1A1 (0.40) ROCK2ROCK1ALDH1A1LMNAMAPT
Bromide SCHEMBL6276149 0.81 MEN1 (0.50) RAB9ANPC1CYP2C9ALDH1A1LMNA
Bromide SCHEMBL6280874 0.81 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1LMNAKMT2A
Bromide SCHEMBL6284177 0.81 CYP1A2 (0.53) RAB9ANPC1CYP2C9ALDH1A1LMNA

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 9 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
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 RAB9A 958/4885NPC1 1275/4885ROCK2 102/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 RAB9A 3305/4885NPC1 3258/4885ROCK2 224/4885

“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.