SCHEMBL2196231

SCHEMBL2196231

Cc1ccc(CN(I)I)cc1.Cc1cn(C2CCCCC2)c(=[Pt])n1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
CES2 O00748 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2198397 0.91 CYP3A4 (0.36) ALDH1A1CNR2CYP3A4CYP2C19CYP2C9
SCHEMBL2195631 0.91 MEN1 (0.32) KMT2AALDH1A1MEN1KDM4ENPC1
SCHEMBL2197081 0.91 GLA (0.36) KMT2AALDH1A1CNR1CNR2MEN1
SCHEMBL2195565 0.91 SLC18A3 (0.36) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2198307 0.89 KMT2A (0.36) KMT2AALDH1A1CNR1CNR2CES2
SCHEMBL2194640 0.88 CCR3 (0.34) ALDH1A1KDM4E
SCHEMBL2195655 0.87 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL2193570 0.84 SLC6A2 (0.31)
SCHEMBL2197041 0.84 CHRM2 (0.32)
SCHEMBL2196691 0.84 LSS (0.34) CYP3A4CYP2C19CYP2C9CYP2D6

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.