Bromide

Bromide

SCHEMBL5200458

Br.COc1cccc(C(=O)C(Br)c2ccnc(N)c2)c1

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
SLC6A2 known ✓ P23975 1/20 0.42
SLC6A3 known ✓ Q01959 1/20 0.42
ROCK2 O75116 2/20 0.47
CYP3A4 P08684 2/20 0.47
ROCK1 Q13464 2/20 0.47
CYP2D6 P10635 1/20 0.47
PARP1 P09874 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
PKM P14618 1/20 0.43
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42

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
Bromide SCHEMBL3892616 0.86 ROCK2 (0.47) ROCK2CYP3A4ROCK1PARP1CES2
Bromide SCHEMBL3889498 0.84 PARP1 (0.42) PARP1NOS3NOS1NOS2NPC1
Bromide SCHEMBL6283052 0.84 NPC1 (0.53) ROCK2CYP3A4ROCK1CYP2D6PARP1
Bromide SCHEMBL3887674 0.83 CYP3A4 (0.38) ROCK2CYP3A4ROCK1CYP2D6ALDH1A1
SCHEMBL6505647 0.83 PARP1 (0.43) PARP1NOS3NOS1NOS2NPC1
Bromide SCHEMBL3892578 0.83 PARP1 (0.43) PARP1NPC1RAB9APKMCHRNA1
SCHEMBL7142373 0.82 NPC1 (0.54) ROCK2CYP3A4ROCK1CYP2D6PARP1
Bromide SCHEMBL3891895 0.82 GABRP (0.46) CYP3A4CES2CES1ALDH1A1HPGD
Bromide SCHEMBL3888929 0.81 PARP1 (0.42) PARP1NPC1RAB9APKMCHRNA1
Bromide SCHEMBL3886815 0.81 CES2 (0.46) CYP3A4PARP1CES2CES1NPC1

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-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 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 SLC6A2 4327/4885SLC6A3 4560/4885ROCK2 102/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 SLC6A2 2307/4885SLC6A3 3210/4885ROCK2 650/4885

“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.