Bromide

Bromide

SCHEMBL2823934

Br.CCOC(=O)c1cccc2nc(P(C)(c3ccccc3)(c3ccccc3)c3ccccc3)cn12

nearest known ligand 0.47

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
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TGFBR1 P36897 1/20 0.38
MAPT P10636 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 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
SCHEMBL7863347 0.78 GAA (0.58) GAAMAPK1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL13935127 0.74 MAPK1 (0.64) GAAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL21355163 0.73 GAA (0.53) GAAMAPK1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL2823930 0.72 GAA (0.46) GAAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4125150 0.67 GAA (0.48) GAAMAPK1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL13935149 0.66 MAPK1 (0.62) GAAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL104191 0.65 GAA (0.70) GAAMAPK1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL2368422 0.65 MAPK1 (0.59) GAAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL101291 0.65 GAA (1.00) GAAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL25262974 0.64 GAA (0.73) GAAMAPK1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 GAA 3758/4885MAPK1 2141/4885CYP1A2 1594/4885

“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.