SCHEMBL2193057

SCHEMBL2193057

CC(C)n1ccn(C)c1=[Pt].Fc1ccc(CN(I)I)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
PYCR1 P32322 1/20 0.31
MCHR1 Q99705 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AOC3 Q16853 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL2195476 0.88 TSHR (0.32)
SCHEMBL2197471 0.87 ESR1 (0.38) PYCR1ALDH1A1AOC3
SCHEMBL2197172 0.86 PYCR1 (0.38) PYCR1ALDH1A1
SCHEMBL2195750 0.86 LSS (0.32) PYCR1SLC6A2SLC6A3ALDH1A1AOC3
SCHEMBL2196008 0.86 AOC3 (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1AOC3
SCHEMBL2196414 0.86 CDK1 (0.37) PYCR1SLC6A2SLC6A4ALDH1A1
SCHEMBL2197400 0.80 ALDH1A1 (0.33) PYCR1MCHR1ALDH1A1
SCHEMBL2197284 0.78 RIPK1 (0.33) PYCR1ALDH1A1
SCHEMBL2195423 0.77 ESR1 (0.31) PYCR1ALDH1A1
SCHEMBL2193091 0.76 SLC6A2 (0.34) PYCR1SLC6A2SLC6A4SLC6A3

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 5 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 claimed
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 claimed
US-8481522-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-07-09 US claimed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 US claimed
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 TRPA1 2065/4885PYCR1 75/4885MCHR1 3067/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 TRPA1 2065/4885PYCR1 75/4885MCHR1 3067/4885

“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.