Bromide

Bromide

SCHEMBL6282584

Br.Cc1ccc(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
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTGS2 P35354 1/20 0.39
GSK3B P49841 1/20 0.38
HTT P42858 2/20 0.38
MMP13 P45452 2/20 0.38
CYP3A4 P08684 2/20 0.38
MMP2 P08253 1/20 0.38
STAT3 P40763 1/20 0.38
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38
ITK Q08881 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7147231 0.98 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1
Bromide SCHEMBL6284308 0.85 RAB9A (0.41) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1
Bromide SCHEMBL6276618 0.85 GAA (0.44) ALDH1A1KMT2ARAB9ANPC1CYP3A4
SCHEMBL7141616 0.83 RAB9A (0.42) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1
Bromide SCHEMBL6286087 0.83 CYP19A1 (0.47) KMT2ASMN1; SMN2LMNACES2CES1
Bromide SCHEMBL2795481 0.83 LTA4H (0.53) KMT2ASMN1; SMN2RAB9ALMNACES2
SCHEMBL7148793 0.83 GAA (0.45) ALDH1A1KMT2ARAB9ANPC1CYP3A4
Bromide SCHEMBL6276149 0.83 MEN1 (0.50) ALDH1A1KMT2ARAB9ANPC1LMNA
Bromide SCHEMBL6284177 0.83 CYP1A2 (0.53) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1
Bromide SCHEMBL6286105 0.83 SMN1; SMN2 (0.42) ALDH1A1KMT2ASMN1; SMN2RAB9ANPC1

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 ALDH1A1 3345/4885KMT2A 4107/4885SMN1; SMN2 4112/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885KMT2A 3564/4885SMN1; SMN2 4349/4885

“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.