Bromide

Bromide

SCHEMBL20499802

C[N+](C)(c1ccc(N)cc1)c1ccc(NCN(CN(CO)c2ccc(Oc3ccc(N)cc3)cc2)c2ccc(Oc3ccc(N)cc3)cc2)cc1.[Br-]

nearest known ligand 0.33

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
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
TEAD4 Q15561 1/20 0.31
PSMD14 O00487 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GFER P55789 1/20 0.31
HDAC3 O15379 1/20 0.30
BRAF P15056 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL20499799 0.89 F13A1 (0.39) F13A1TGM2ALDH1A1TDP1POLB
SCHEMBL20506766 0.78 MEN1 (0.42) ALDH1A1MAPTL3MBTL1GAATP53
SCHEMBL17634991 0.78 ALDH1A1 (0.39) ALDH1A1TDP1MAPTL3MBTL1CYP3A4
SCHEMBL21707451 0.74 MEN1 (0.37) ALDH1A1MAPTL3MBTL1GAATP53
SCHEMBL20506762 0.73 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL20527882 0.71
SCHEMBL19002876 0.71 MAPT (0.42) ALDH1A1TDP1POLBMAPTL3MBTL1
SCHEMBL17343555 0.71 MAPT (0.42) ALDH1A1TDP1MAPTL3MBTL1GAA
SCHEMBL17348254 0.71 CNR2 (0.33) ALDH1A1POLBMAPTGAACYP3A4
SCHEMBL21707381 0.69 SMN1; SMN2 (0.37) ALDH1A1POLBMAPTL3MBTL1GAA

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
US-10316161-B2 Method of making highly porous polyhexahydrotriazines containing antimicrobial agents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-06-11 US disclosed
US-20180265664-A1 METHOD OF MAKING HIGHLY POROUS POLYHEXAHYDROTRIAZINES CONTAINING ANTIMICROBIAL AGENTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-09-20 US disclosed
US-9255104-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-09 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 (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-20180265664-A1 METHOD OF MAKING HIGHLY POROUS POLYHEXAHYDROTRIAZINES CONTAINING ANTIMICROBIAL AGENTS PFAS, PUF60, PARG F13A1 401/4885TGM2 3850/4885ALDH1A1 2353/4885
US-10316161-B2 Method of making highly porous polyhexahydrotriazines containing antimicrobial agents PFAS, PUF60, PARG F13A1 401/4885TGM2 3850/4885ALDH1A1 2353/4885

“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.