Bromide

Bromide

SCHEMBL3593135

Br.CCOC(=O)c1c(Br)[nH]c2c1CCc1cnccc1-2

nearest known ligand 0.42

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
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL3593137 0.99 KDM5A (0.42) KDM5AKDM5BMMP13ALDH1A1HPGD
SCHEMBL3599326 0.84 ALDH1A1 (0.43) KDM5AKDM5BMMP13ALDH1A1HPGD
SCHEMBL3602746 0.82 ALOX5 (0.47) KDM5AKDM5BMMP13ALDH1A1HPGD
SCHEMBL15005768 0.82 CCNC (0.34) KDM5AKDM5BMMP13ALDH1A1BRAF
SCHEMBL3599880 0.77 KDM4E (0.42) KDM5AKDM5BMMP13ALDH1A1BRAF
SCHEMBL3590440 0.76 APAF1 (0.39) KDM5AKDM5BALDH1A1HPGDHSD17B10
SCHEMBL6794908 0.72 AURKA (0.54) KDM5AKDM5BMMP13ALDH1A1HPGD
SCHEMBL21855441 0.70 CDC7 (0.42) KDM5AKDM5BMMP13ALDH1A1HPGD
SCHEMBL3597842 0.69 CDK4 (0.39) KDM5AKDM5BALDH1A1HPGDMAPT
SCHEMBL10142566 0.68 CHRNB2 (0.35) ALDH1A1HSD17B10MAPTKDM4ELMNA

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
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 KDM5A 1565/4885KDM5B 1645/4885MMP13 4524/4885

“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.