Bromide

Bromide

SCHEMBL6539768

Br.Br.O=C(O)c1ccc(N2CCC(C3CCN(C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.56

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 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
L3MBTL3 Q96JM7 8/20 0.53
MBTD1 Q05BQ5 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
TP53BP1 Q12888 1/20 0.53
L3MBTL4 Q8NA19 1/20 0.53
KDM4E B2RXH2 3/20 0.47
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESRRG P62508 3/20 0.43
ESR1 P03372 2/20 0.43
ESRRA P11474 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ESRRB O95718 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
SCHEMBL4237552 0.85 L3MBTL3 (0.71) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
Hydrochloric Acid SCHEMBL6538747 0.85 MEN1 (0.52) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
Hydrochloric Acid SCHEMBL6538750 0.85 MEN1 (0.52) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
Hydrochloric Acid SCHEMBL6539209 0.85 MEN1 (0.52) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL6369559 0.84 USP2 (0.54) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
Hydrochloric Acid SCHEMBL722840 0.84 L3MBTL3 (0.69) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL15951981 0.84 L3MBTL3 (0.73) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL1304508 0.84 USP2 (0.59) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
Hydrochloric Acid SCHEMBL6132979 0.83 USP2 (0.52) USP2L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL6132191 0.83 MEN1 (0.50) USP2L3MBTL3MBTD1L3MBTL1TP53BP1

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-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA USP2 4570/4885L3MBTL3 4143/4885MBTD1 1306/4885

“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.