Sugi Predict

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SCHEMBL2192014

SCHEMBL2192014

Cn1cc(-c2ccccc2)n(Cc2ccccc2)c1=[Pt].IN(I)Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ BRD4 O60885 4/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 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
SCHEMBL2195697 0.94 TP53 (0.38) HPGDSCNR1HPGDCYP3A4ALDH1A1
SCHEMBL2196154 0.94 CNR2 (0.38) CNR1HPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL2194042 0.93 CYP11B1 (0.38) HPGDSCNR1CYP11B1CYP11B2ALDH1A1
SCHEMBL2195473 0.93 ALDH1A1 (0.39) CYP11B1CYP11B2BRD4ALDH1A1KDM4E
SCHEMBL2194315 0.90 CFTR (0.35) LMNANPSR1
SCHEMBL2196329 0.89 CNR1 (0.35) HPGDSCNR1BRD4ALDH1A1LMNA
SCHEMBL2197714 0.85 GAA (0.34) CYP3A4DRD2DRD4DRD3ALDH1A1
SCHEMBL2192700 0.83 DRD2 (0.37) HPGDSDRD2DRD4DRD3
SCHEMBL2193600 0.81 DRD2 (0.35) HPGDDRD2DRD4DRD3ALDH1A1
SCHEMBL2195591 0.81 DRD2 (0.35) HPGDDRD2DRD4DRD3ALDH1A1

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 HPGDS 3631/4885CNR1 278/4885HPGD 1468/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 HPGDS 3631/4885CNR1 278/4885HPGD 1468/4885

“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.