Bromide

Bromide

SCHEMBL217579

Br.CC1(C)OB(c2ccc3nc(-c4ccc5ccn(S(=O)(=O)c6ccccc6)c5c4)cn3c2)OC1(C)C

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
HTR1A known ✓ P08908 1/20 0.39
HTR6 P50406 11/20 0.48
DRD2 P14416 4/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SCD O00767 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 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
SCHEMBL2735663 0.99 HTR6 (0.49) HTR6DRD2HTR2AHTR7KMT2A
SCHEMBL2735666 0.72 NPC1 (0.59) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL217078 0.72 HTR6 (0.45) HTR6DRD2HTR2AHTR7KMT2A
SCHEMBL220154 0.70 RAB9A (0.58) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL2063708 0.69 ALDH1A3 (0.57) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL1726545 0.69 RAB9A (0.56) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL18340688 0.68 CYP2C19 (0.50) HTR6KMT2AMEN1ALDH1A1HPGD
SCHEMBL31200205 0.68 MET (0.50) HTR6KMT2AMEN1ALDH1A1HPGD
SCHEMBL21222804 0.67 HTR6 (0.48) HTR6KMT2AMEN1ALDH1A1HPGD
SCHEMBL18299715 0.67 HTR6 (0.41) HTR6DRD2KMT2AMEN1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598166-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI (FR) 2013-12-03 US disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 US disclosed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 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 (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-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 HTR1A 118/4885HTR6 265/4885DRD2 1978/4885
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 HTR1A 118/4885HTR6 265/4885DRD2 1978/4885

“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.