Bromide

Bromide

SCHEMBL2194865

COc1cccc(Cn2cc[n+](C)c2)c1.[Br-]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 13)

geneUniProtsupporting neighboursconfidence
LPO P22079 3/20 0.55
CMA1 P23946 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1011073 0.99 LPO (0.56) LPOCMA1SIGMAR1LMNATP53
Hydrochloric Acid SCHEMBL2011318 0.97 LPO (0.55) LPOCMA1SIGMAR1LMNATP53
Bromide SCHEMBL2196188 0.82 MAPT (0.45) CMA1SIGMAR1LMNAMAPTKDM4E
SCHEMBL1009269 0.80 MAPT (0.46) CMA1SIGMAR1LMNATP53MAPT
SCHEMBL20138573 0.79 CYP11B1 (0.53) TP53MAPTKDM4EALDH1A1TAAR1
Bromide SCHEMBL2194611 0.78 HSP90AA1 (0.48) SIGMAR1LMNAKDM4EALDH1A1KMT2A
SCHEMBL27696269 0.78 LPO (0.68) LPOCMA1SIGMAR1LMNATP53
Bromide SCHEMBL1179197 0.78 PON1 (0.49) CMA1SIGMAR1LMNATP53MAPT
Hydrochloric Acid SCHEMBL2012582 0.78 CYP11B1 (0.55) TP53MAPTKDM4EALDH1A1TAAR1
Bromide SCHEMBL23090425 0.77 CYP19A1 (0.50) MAPTMEN1KMT2A

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 LPO 962/4885CMA1 3031/4885SIGMAR1 259/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 LPO 962/4885CMA1 3031/4885SIGMAR1 259/4885

“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.