Bromide

Bromide

SCHEMBL7822985

Br.Cc1sc(C(=O)O)cc1-c1csc(Nc2ccccc2)n1

nearest known ligand 0.75

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
PLAU P00749 5/20 0.75
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGDS O60760 1/20 0.52
CSNK2A1 P68400 4/20 0.51
TRPV4 Q9HBA0 1/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK1 P49759 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL27554751 0.99 PLAU (0.77) PLAUMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL27574880 0.89 PLAU (0.80) PLAUMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL6925465 0.86 PLAU (0.66) PLAUMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6927811 0.86 PLAU (1.00) PLAU
Bromide SCHEMBL7414776 0.85 PLAU (0.77) PLAU
Hydrochloric Acid SCHEMBL6928200 0.85 PLAU (0.98) PLAU
Bromide SCHEMBL6920354 0.84 PLAU (0.75) PLAUMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL7388804 0.79 PLAU (0.78) PLAUMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL6923863 0.79 PLAU (0.70) PLAUMAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL6927575 0.79 PLAU (0.62) PLAUMAPTRAB9ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 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-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 PLAU 4/4885MAPT 3492/4885RAB9A 1248/4885

“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.