SCHEMBL2196361

SCHEMBL2196361

FC(F)(F)c1ccc(CN(I)I)cc1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR3 P51677 8/20 0.36
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
LMNA P02545 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PDE9A O76083 1/20 0.34
OPRD1 P41143 1/20 0.33
PYCR1 P32322 1/20 0.33

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
SCHEMBL2196079 0.92 HSD11B1 (0.37) HSD11B1KDM4EALDH1A1CCR3PSEN1
SCHEMBL2198425 0.86 POLB (0.43) ALDH1A1
SCHEMBL2192656 0.85 SLC6A2 (0.36) KDM4EALDH1A1SLC6A2SLC6A4OPRD1
SCHEMBL2193529 0.83 CYP3A4 (0.41) HSD11B1KDM4EALDH1A1PSEN1PSEN2
SCHEMBL2194631 0.83 MEN1 (0.33)
SCHEMBL2198390 0.83 KMT2A (0.39) KDM4EALDH1A1
SCHEMBL2194640 0.83 CCR3 (0.34) HSD11B1KDM4EALDH1A1CCR3PSEN1
SCHEMBL2194583 0.83 G6PC1 (0.38) HSD11B1KDM4EALDH1A1PDE9A
SCHEMBL2195335 0.78 GLA (0.40) ALDH1A1SLC6A2SLC6A4
SCHEMBL2195009 0.78 ALDH1A1 (0.31) KDM4EALDH1A1

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 HSD11B1 2816/4885KDM4E 4803/4885ALDH1A1 1989/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 HSD11B1 2816/4885KDM4E 4803/4885ALDH1A1 1989/4885

“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.