Bromide

Bromide

SCHEMBL2194872

Br.COc1cccc(CN2C=CN(C)C2)c1

nearest known ligand 0.52

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 2/20 0.52
LPO P22079 3/20 0.52
CMA1 P23946 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL1011075 0.98 LPO (0.54) LPOSIGMAR1CMA1KDM4EALDH1A1
SCHEMBL31177907 0.98 LPO (0.54) LPOSIGMAR1CMA1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31177921 0.97 LPO (0.52) LPOSIGMAR1CMA1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2011319 0.97 LPO (0.52) LPOSIGMAR1CMA1KDM4EALDH1A1
SCHEMBL10522098 0.85 SIGMAR1 (0.61) SIGMAR1HRH3TAAR1
Bromide SCHEMBL2196195 0.81 SIGMAR1 (0.46) SIGMAR1CMA1KDM4EALDH1A1MAPT
SCHEMBL1009271 0.80 SIGMAR1 (0.47) SIGMAR1CMA1KDM4EALDH1A1MAPT
SCHEMBL31177901 0.78 POLB (0.45) KDM4EALDH1A1MAPTTP53HRH3
SCHEMBL28299282 0.78 POLB (0.45) KDM4EALDH1A1MAPTTP53HRH3
Bromide SCHEMBL2194613 0.78 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1LMNAMEN1

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-8980875-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US disclosed
US-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-19 US disclosed
US-8481522-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-07-09 US disclosed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 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-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 SIGMAR1 259/4885LPO 962/4885CMA1 3031/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 SIGMAR1 259/4885LPO 962/4885CMA1 3031/4885

“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.