SCHEMBL2194099

SCHEMBL2194099

COc1cccc(Cn2ccn(C)c2=[Pt])c1.IN(I)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPO P22079 3/20 0.52
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HRH3 Q9Y5N1 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
CMA1 P23946 1/20 0.38

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
SCHEMBL2194325 1.00 LPO (0.52) LPOTP53MAPTLMNAALDH1A1
SCHEMBL2194561 0.99 LPO (0.53) LPOTP53MAPTLMNAALDH1A1
SCHEMBL2195855 0.98 LPO (0.54) LPOTP53MAPTLMNAALDH1A1
SCHEMBL2197695 0.95 LPO (0.55) LPOTP53MAPTLMNAALDH1A1
SCHEMBL2194293 0.87 MAPT (0.39) TP53MAPTLMNAALDH1A1HRH3
SCHEMBL2192592 0.87 MAPT (0.39) TP53MAPTLMNAALDH1A1HRH3
SCHEMBL2196792 0.86 MAPT (0.40) TP53MAPTLMNAALDH1A1HRH3
SCHEMBL2195090 0.85 MAPT (0.41) LPOTP53MAPTLMNAALDH1A1
SCHEMBL2196206 0.84 CNR1 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL2192469 0.84 SIGMAR1 (0.43) MAPTLMNAALDH1A1KDM4EMAPK1

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 disclosed
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 disclosed
US-8481522-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-07-09 US disclosed
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 LPO 962/4885TP53 1327/4885MAPT 4712/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 LPO 962/4885TP53 1327/4885MAPT 4712/4885

“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.