Bromide

Bromide

SCHEMBL17783238

Fc1cccc(F)c1-c1[nH]c2cc[n+](Cc3ccccc3)cc2c1F.[Br-]

nearest known ligand 0.61

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 3/20 0.61
▸ CHKA known ✓ P35790 1/20 0.35
▸ CCNT1 O60563 1/20 0.47
▸ CCNT2 O60583 1/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ BCHE P06276 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35

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
SCHEMBL17790285 0.99 ACHE (0.59) ACHECCNT1CCNT2CCNB2CDK1
SCHEMBL16492221 0.72 CYP1A2 (0.54) ACHECCNT1CCNT2CCNB2CDK1
SCHEMBL13089694 0.71 ACHE (0.53) ACHEBCHECYP1A2CYP2D6LMNA
Bromide SCHEMBL17632298 0.65 ACHE (0.48) ACHEBCHELMNAALDH1A1CHKA
Bromide SCHEMBL25322591 0.64 ACHE (0.47) ACHECCNT1CCNT2CCNB2CDK1
Bromide SCHEMBL30474219 0.64 ACHE (0.47) ACHECCNT1CCNT2CCNB2CDK1
SCHEMBL14211654 0.64 ACHE (0.45) ACHEBCHELMNAALDH1A1CHKA
SCHEMBL25848023 0.63 LMNA (0.47) ACHEBCHELMNAALDH1A1CHKA
Bromide SCHEMBL9691766 0.63 CHKA (0.58) ACHELMNAALDH1A1CHKAHTT
SCHEMBL16486069 0.62 ACHE (0.50) ACHEALDH1A1SMN1; SMN2

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-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 — — 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-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A ACHE 1693/4885CHKA 2318/4885CCNT1 2595/4885

“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.

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