Bromide

Bromide

SCHEMBL570167

Br.O=C(O)c1cn2ccsc2n1

nearest known ligand 0.46

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
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.43
TP53 P04637 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 1/20 0.42
HSD17B10 Q99714 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL496759 0.98 PTGS1 (0.47) PTGS1PTGS2SMN1; SMN2TP53NPC1
SCHEMBL17454368 0.81 TP53 (0.49) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL4423753 0.81 TP53 (0.43) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL10766644 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL17452625 0.77 TP53 (0.45) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL13352171 0.77 GAA (0.48) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL2815932 0.77 MAPT (0.53) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL1572425 0.74 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL11315876 0.71 TSHR (0.60) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL7054988 0.70 TP53 (0.63) SMN1; SMN2TP53NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
EP-2601208-B1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2015-02-11 EP disclosed
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-05-23 US disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 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 (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-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCGR3B PTGS1 3730/4885PTGS2 3687/4885SMN1; SMN2 4803/4885
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCER2 PTGS1 3399/4885PTGS2 4006/4885SMN1; SMN2 4832/4885

“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.