Bromide

Bromide

SCHEMBL16100576

CCOC(=O)C[n+]1ccncc1.[Br-]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
ACHE known ✓ P22303 1/20 0.34
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 3/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ERAP1 Q9NZ08 1/20 0.36
PPID Q08752 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
Hydrochloric Acid SCHEMBL30008506 0.82 PPID (0.47) KMT2AGAAALDH1A1KDM4EERAP1
SCHEMBL28360786 0.82 PPID (0.49) GAAALDH1A1KDM4EPPIDMAPT
Hydrochloric Acid SCHEMBL624259 0.81 KMT2A (0.46) KMT2AMEN1GAAMGAMSI
Bromide SCHEMBL344154 0.81 KMT2A (0.50) KMT2AMEN1GAAMGAMSI
Hydrochloric Acid SCHEMBL28356953 0.80 PPID (0.48) GAAALDH1A1KDM4EPPIDMAPT
Hydrochloric Acid SCHEMBL28356951 0.80 PPID (0.48) GAAALDH1A1KDM4EPPIDMAPT
SCHEMBL4232151 0.79 KMT2A (0.47) KMT2AMEN1GAAMGAMSI
Bromide SCHEMBL9243928 0.78 ALDH1A1 (0.47) KMT2AMEN1GAAMGAMSI
SCHEMBL11478130 0.76 GAA (0.41) KMT2AMEN1GAAMGAMSI
Bromide SCHEMBL10913040 0.75 ALDH1A1 (0.48) KMT2AMEN1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745305-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP disclosed
EP-2970305-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 US disclosed
WO-2014151142-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-25 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 (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-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 ACHE 725/4885KMT2A 84/4885MEN1 2650/4885

“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.