Bromide

Bromide

SCHEMBL2887381

Br.COC(=O)c1ccccc1CSC(=N)N

nearest known ligand 0.51

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
LMNA P02545 5/20 0.51
MAPT P10636 1/20 0.51
IDO1 P14902 6/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.48
CFTR P13569 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
TSHR P16473 1/20 0.44
SLC11A2 P49281 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL10395545 0.98 LMNA (0.52) LMNAMAPTIDO1HTTALDH1A1
Hydrochloric Acid SCHEMBL10742194 0.97 IDO1 (0.53) LMNAMAPTIDO1HTTALDH1A1
Hydrochloric Acid SCHEMBL30130145 0.97 IDO1 (0.53) LMNAMAPTIDO1HTTALDH1A1
Bromide SCHEMBL4444689 0.89 LMNA (0.49) LMNAMAPTIDO1HTTALDH1A1
SCHEMBL3692373 0.87 LMNA (0.50) LMNAMAPTIDO1HTTALDH1A1
Bromide SCHEMBL4437988 0.83 IDO1 (0.57) LMNAMAPTIDO1HTTALDH1A1
Bromide SCHEMBL22263160 0.82 IDO1 (0.50) LMNAMAPTIDO1HTTALDH1A1
Bromide SCHEMBL4961580 0.81 IDO1 (0.58) LMNAMAPTIDO1HTTALDH1A1
SCHEMBL7076431 0.81 ALDH1A1 (0.59) LMNAHTTALDH1A1ATMCFTR
SCHEMBL19691970 0.81 ATM (0.57) LMNAMAPTIDO1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283373-B2 Inhibitors of cytosolic phospholipase A2 PFIZER INC. (US) 2012-10-09 US disclosed
EP-1891006-B1 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH LLC (US) 2010-11-24 EP disclosed
EP-2248801-A1 Inhibitors of cytosolic phospholipase a2 Wyeth LLC (US) 2010-11-10 EP disclosed
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 WYETH LLC 2010-02-04 US disclosed
US-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 NOVARTIS AG (CH) 2010-01-28 US disclosed
US-7557135-B2 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-07-07 US disclosed
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2007-01-04 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 (3 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-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A LMNA 782/4885MAPT 4517/4885IDO1 851/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A LMNA 782/4885MAPT 4517/4885IDO1 851/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A LMNA 782/4885MAPT 4517/4885IDO1 851/4885

“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.