SCHEMBL2192106

SCHEMBL2192106

Brc1ccc(CN(I)I)cc1.Cn1c(=[Pt])n(C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.46
BCHE P06276 2/20 0.36
PYCR1 P32322 4/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 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
SCHEMBL2192488 0.87 ALDH1A1 (0.39) TSHRKDM4EALDH1A1NPC1RAB9A
SCHEMBL2196641 0.86 NPC1 (0.38) PYCR1HTTALDH1A1MEN1NPC1
SCHEMBL2195641 0.85 RAB9A (0.40) CXCR3TSHRHTTGALR3NR2F2
SCHEMBL2196746 0.85 TSPO (0.39) PYCR1TSHRL3MBTL1KDM4EALDH1A1
SCHEMBL2197712 0.84 BCHE (0.36) CXCR3BCHEPYCR1TSHRHTT
SCHEMBL2195276 0.81 KIF11 (0.39) PYCR1L3MBTL1MEN1KMT2A
SCHEMBL2197038 0.80 PYCR1 (0.37) BCHEPYCR1TSHRHTTL3MBTL1
SCHEMBL2195883 0.79 LMNA (0.42) CXCR3HTTL3MBTL1KDM4EMEN1
SCHEMBL2194277 0.78 BCHE (0.39) CXCR3BCHEPYCR1TSHRHTT
SCHEMBL2192094 0.77 CYP11B1 (0.36) CXCR3BCHEPYCR1TSHRHTT

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 CXCR3 25/4885BCHE 2321/4885PYCR1 75/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 CXCR3 25/4885BCHE 2321/4885PYCR1 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.