SCHEMBL2196384

SCHEMBL2196384

Cn1nc(Cc2ccc(C(F)(F)F)cc2)[nH]c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
TYMP P19971 1/20 0.36
PYCR1 P32322 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
PDE2A O00408 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
IDH1 O75874 1/20 0.33
ALKBH3 Q96Q83 2/20 0.32
DAO P14920 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
LTA4H P09960 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL2197113 0.97 PDE5A (0.35) PDE5ATYMPPYCR1MBOAT4SIGMAR1
SCHEMBL2195103 0.96 PDE2A (0.35) PDE5ATYMPSIGMAR1PDE2AALKBH3
SCHEMBL2195783 0.96 PDE2A (0.36) PDE5ATYMPPYCR1MBOAT4SIGMAR1
SCHEMBL2194836 0.96 PDE2A (0.35) PDE5ATYMPSIGMAR1PDE2AALKBH3
SCHEMBL2194207 0.94 PDE5A (0.34) PDE5ATYMPPYCR1MBOAT4SIGMAR1
SCHEMBL2193206 0.94 NR1H2 (0.36) PDE5ATYMPMBOAT4PDE2A
SCHEMBL2196147 0.86 PDE5A (0.41) PDE5ATYMPMBOAT4SIGMAR1PDE2A
SCHEMBL2198379 0.86 PDE5A (0.43) PDE5ATYMPSIGMAR1AADATSLC6A2
SCHEMBL2194720 0.85 PDE5A (0.43) PDE5ATYMPSIGMAR1AADATSLC6A2
SCHEMBL2195874 0.84 PDE5A (0.42) PDE5ATYMPSIGMAR1AADATSLC6A2

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 PDE5A 4509/4885TYMP 1033/4885PYCR1 75/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 PDE5A 4509/4885TYMP 1033/4885PYCR1 75/4885

“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.