SCHEMBL2196798

SCHEMBL2196798

FC(F)(F)c1ccc(CN(I)I)cc1.[Pt]=c1n(Cc2ccccc2)ccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CXCR2 P25025 1/20 0.38
PTGS2 P35354 1/20 0.38
MTOR P42345 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 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
SCHEMBL2193845 0.92 POLB (0.39) BCHEACHEBACE1POLBGAA
SCHEMBL2197402 0.87 ALDH1A1 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2HTR6
SCHEMBL2196021 0.86 KDM4E (0.36) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL2194579 0.85 CNR2 (0.41) BCHEACHEBACE1GAAMAPT
SCHEMBL2193549 0.83 SIGMAR1 (0.42) BCHEACHEBACE1POLBMAPT
SCHEMBL2191713 0.82 CYP11B1 (0.40) BCHEACHEBACE1GAAMAPT
SCHEMBL2195700 0.82 MAPT (0.45) ACHEBACE1POLBMAPTKDM4E
SCHEMBL2193860 0.82 KDM4E (0.36) BACE1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2195738 0.82 OPRL1 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2HTR6
SCHEMBL2197087 0.82 MAPT (0.43) BCHEACHEPOLBGAAMAPT

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 BCHE 2321/4885ACHE 3731/4885BACE1 4074/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 BCHE 2321/4885ACHE 3731/4885BACE1 4074/4885

“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.