SCHEMBL2196502

SCHEMBL2196502

Brc1ccc(CN(I)I)cc1.Cn1c(=O)c2c(n(C)c1=O)n(C)c(=[Pt])n2C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.41
MAOA P21397 7/20 0.41
THRB P10828 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 2/20 0.33
BCHE P06276 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
DPP4 P27487 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
SCHEMBL2196818 0.89 ALDH1A1 (0.40) MAOBRXFP1ALDH1A1TSHRMAPT
SCHEMBL2195971 0.88 HTT (0.41) MAOBMAOARXFP1TSHRTP53
SCHEMBL2194634 0.88 TSHR (0.41) MAOBMAOARXFP1ALDH1A1TSHR
SCHEMBL2197721 0.83 HTT (0.35) MAOBMAOARXFP1ALDH1A1TSHR
SCHEMBL15085518 0.75 ADORA2B (0.39) RXFP1ALDH1A1TSHRKMT2A
SCHEMBL2192106 0.73 CXCR3 (0.46) MAOBALDH1A1BCHETSHRKMT2A
SCHEMBL2197038 0.71 PYCR1 (0.37) MAOBALDH1A1BCHETSHR
SCHEMBL2197712 0.70 BCHE (0.36) MAOBALDH1A1BCHETSHRTP53
SCHEMBL2199114 0.70 ADORA2A (0.33) MAOBMAOAALDH1A1KMT2A
SCHEMBL2197919 0.69 ADORA2A (0.35) MAOBMAOAALDH1A1KMT2A

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 MAOB 616/4885MAOA 1254/4885THRB 1005/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 MAOB 616/4885MAOA 1254/4885THRB 1005/4885

“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.