SCHEMBL2194945

SCHEMBL2194945

Cc1ccc(CN(I)I)cc1.Cn1ccn(C2CCCCC2)c1=[Pt]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
CES2 O00748 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
HRH4 Q9H3N8 1/20 0.31
CYP2D6 P10635 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL2194426 0.94 SLC6A2 (0.31) HRH3
SCHEMBL2198390 0.92 KMT2A (0.39) KMT2AALDH1A1CNR1CNR2CES2
SCHEMBL2195335 0.89 GLA (0.40) KMT2AALDH1A1HRH3HRH4
SCHEMBL2198051 0.89 MEN1 (0.33) KMT2AHRH3HRH4
SCHEMBL2195680 0.89 CYP3A4 (0.37) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL2196394 0.89 PDE9A (0.35) KMT2AALDH1A1
SCHEMBL2197392 0.87
SCHEMBL2196079 0.86 HSD11B1 (0.37) ALDH1A1
SCHEMBL2193091 0.82 SLC6A2 (0.34)
SCHEMBL2196005 0.82 CHRM2 (0.35)

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 4 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

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.