Bromide

Bromide

SCHEMBL4313894

Br.N=C(N)SCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

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
CHRM2 known ✓ P08172 1/20 0.48
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
NOS1 P29475 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCH P24723 1/20 0.47
PRKCI P41743 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL15183456 0.98 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6MEN1KMT2A
Bromide SCHEMBL19585473 0.94 CYP1A2 (0.55) CYP1A2CYP2C19CYP2D6
Bromide SCHEMBL19587023 0.94 CYP1A2 (0.55) CYP1A2CYP2C19CYP2D6
Bromide SCHEMBL19585520 0.94 CYP1A2 (0.55) CYP1A2CYP2C19CYP2D6
SCHEMBL16471735 0.94 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL469419 0.93 CYP1A2 (0.56) CYP1A2CYP2C19CYP2D6
Acetic Acid SCHEMBL4317382 0.92 CYP1A2 (0.54) CYP1A2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL469591 0.89 CYP1A2 (0.61) CYP1A2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL13914452 0.80 CYP1A2 (0.58) CYP1A2MEN1KMT2AGAANOS1
SCHEMBL9970727 0.78 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG CHRM2 4716/4885CYP1A2 2326/4885CYP2C19 3256/4885

“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.