Bromide

Bromide

SCHEMBL2276225

Br.COc1ccccc1C1(C#N)CCNCC1

nearest known ligand 0.59

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
SIGMAR1 known ✓ Q99720 3/20 0.59
ADRA1D known ✓ P25100 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
ADRA1B known ✓ P35368 1/20 0.41
ADRB1 known ✓ P08588 1/20 0.40
HTR3A known ✓ P46098 1/20 0.40
CYP2D6 P10635 2/20 0.44
USP2 O75604 1/20 0.44
DRD2 P14416 2/20 0.43
HTR2C P28335 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 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
SCHEMBL615237 0.98 SIGMAR1 (0.60) SIGMAR1CYP2D6USP2DRD2ADRA1D
Hydrochloric Acid SCHEMBL1266534 0.97 SIGMAR1 (0.59) SIGMAR1CYP2D6USP2DRD2ADRA1D
SCHEMBL2048048 0.87 SIGMAR1 (0.47) SIGMAR1ADRA1DADRA1AADRA1BMAPT
SCHEMBL451300 0.84 SIGMAR1 (0.45) SIGMAR1ADRA1DADRA1AADRA1BMAPT
SCHEMBL1660287 0.83 SIGMAR1 (0.60) SIGMAR1CYP2D6USP2DRD2HTR2C
SCHEMBL6200253 0.83 SIGMAR1 (0.44) SIGMAR1ADRA1DADRA1AADRA1BMAPT
SCHEMBL23325192 0.79 BDKRB1 (0.42) SIGMAR1CYP2D6USP2HTR2CKMT2A
SCHEMBL29531771 0.79 BDKRB1 (0.42) SIGMAR1CYP2D6USP2HTR2CKMT2A
SCHEMBL6816695 0.79 KMT2A (0.55) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL2863687 0.79 PDE4A (0.49) SIGMAR1ADRA1DADRA1AADRA1BMAPT

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
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 SIGMAR1 3731/4885ADRA1D 2515/4885ADRA1A 2085/4885

“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.