Bromide

Bromide

SCHEMBL2372508

Br.Nc1c(F)cc(Br)cc1C(=O)O

nearest known ligand 0.48

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
KDM4E B2RXH2 5/20 0.48
GLA P06280 1/20 0.48
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
AKR1C4 P17516 1/20 0.46
DGAT1 O75907 1/20 0.43
HSD17B10 Q99714 2/20 0.41
KEAP1 Q14145 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 3/20 0.34

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
SCHEMBL1571259 0.98 KDM4E (0.50) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL13362737 0.82 DGAT1 (0.58) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL4092168 0.81 DGAT1 (0.43) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL30353604 0.81 DGAT1 (0.43) KDM4EGLAAKR1C3AKR1C2AKR1C1
Bromide SCHEMBL2959725 0.78 AKR1C3 (0.52) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL671102 0.78 AKR1C2 (0.50) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL30300276 0.78 AKR1C2 (0.50) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL2060245 0.78 KEAP1 (0.53) KDM4EHSD17B10KEAP1HDAC1HDAC6
SCHEMBL30505691 0.78 KDM4E (0.59) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL11798181 0.78 KDM4E (0.59) KDM4EGLAAKR1C3AKR1C2AKR1C1

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-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
EP-2726485-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2014-05-07 EP disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 2994/4885GLA 13/4885AKR1C3 153/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB KDM4E 1395/4885GLA 1403/4885AKR1C3 4228/4885

“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.