Bromide

Bromide

SCHEMBL5094976

Br.CN(CCCn1c(=N)n(CC(=O)c2ccc(Br)cc2)c2cccc(Cl)c21)C(=O)c1ccccc1

nearest known ligand 0.85

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 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 18/20 0.85
▸ BRSK1 Q8TDC3 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ RAB9A P51151 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
SCHEMBL14373250 0.99 CXCR3 (0.86) CXCR3BRSK1AURKB
SCHEMBL14373834 0.94 CXCR3 (0.86) CXCR3BRSK1AURKB
SCHEMBL14373417 0.94 CXCR3 (0.77) CXCR3BRSK1AURKB
SCHEMBL14373407 0.94 CXCR3 (0.93) CXCR3RAB9A
SCHEMBL14373406 0.92 CXCR3 (1.00) CXCR3
SCHEMBL14470687 0.90 CXCR3 (0.86) CXCR3
SCHEMBL14373410 0.89 CXCR3 (0.70) CXCR3BRSK1AURKB
SCHEMBL14373845 0.89 CXCR3 (0.94) CXCR3
SCHEMBL14373352 0.89 CXCR3 (0.87) CXCR3BRSK1AURKB
SCHEMBL14373438 0.89 CXCR3 (0.69) CXCR3BRSK1AURKBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 — — EP disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR3 4743/4885BRSK1 1014/4885AURKB 216/4885

“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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