Bromide

Bromide

SCHEMBL2363115

Br.Nc1cccc(O)c1-c1nccs1

nearest known ligand 0.44

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
HSP90AA1 P07900 1/20 0.44
PDPK1 O15530 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RAB9A P51151 2/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5712479 0.98 HSP90AA1 (0.45) HSP90AA1PDPK1LOXL2HDAC2HDAC1
SCHEMBL31055003 0.88 PDPK1 (0.52) HSP90AA1PDPK1LOXL2HDAC2HDAC1
SCHEMBL6067988 0.86 PDPK1 (0.50) HSP90AA1PDPK1LOXL2RAB9AADORA2A
SCHEMBL8864616 0.79 CD44 (0.45) HSP90AA1PDPK1LOXL2HDAC2HDAC1
SCHEMBL28972972 0.78 PDPK1 (0.43) HSP90AA1PDPK1LOXL2HDAC2HDAC1
SCHEMBL8221405 0.78 PDPK1 (0.43) HSP90AA1PDPK1LOXL2HDAC2HDAC1
SCHEMBL9475307 0.78 PDPK1 (0.43) HSP90AA1PDPK1LOXL2HDAC2HDAC1
SCHEMBL11402488 0.78 PDPK1 (0.43) HSP90AA1PDPK1LOXL2RAB9AADORA2A
SCHEMBL2248431 0.78 PDPK1 (0.43) HSP90AA1PDPK1LOXL2HDAC2HDAC1
Bromide SCHEMBL2363116 0.77 HSP90AA1 (0.44) HSP90AA1PDPK1LOXL2HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 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 (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-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS BMI1, CREBBP, BAZ2A HSP90AA1 650/4885PDPK1 1267/4885LOXL2 3004/4885

“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.