SCHEMBL2198390

SCHEMBL2198390

Cc1ccc(CN(I)I)cc1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
CES2 O00748 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2194945 0.92 KMT2A (0.36) KMT2AALDH1A1CNR1CNR2CES2
SCHEMBL2193529 0.86 CYP3A4 (0.41) ALDH1A1CNR2CYP3A4CYP2C19CYP2C9
SCHEMBL2198425 0.86 POLB (0.43) KMT2AALDH1A1RAB9A
SCHEMBL2194631 0.86 MEN1 (0.33) KMT2AHRH4HRH3NPC1
SCHEMBL2194583 0.86 G6PC1 (0.38) KMT2AALDH1A1KDM4E
SCHEMBL2195009 0.86 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C19CYP2C9KDM4E
SCHEMBL2194426 0.85 SLC6A2 (0.31) HRH3NPC1RAB9A
SCHEMBL2196231 0.84 KMT2A (0.36) KMT2AALDH1A1CNR1CNR2CES2
SCHEMBL2196361 0.83 HSD11B1 (0.40) ALDH1A1KDM4E
SCHEMBL2198051 0.81 MEN1 (0.33) KMT2AHRH4HRH3

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 KMT2A 4286/4885ALDH1A1 1989/4885CNR1 278/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 KMT2A 4286/4885ALDH1A1 1989/4885CNR1 278/4885

“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.