Sugi Predict

Sugi Predict / Compounds / SCHEMBL2196818

SCHEMBL2196818

SCHEMBL2196818

Cc1ccc(CN(I)I)cc1.Cn1c(=O)c2c(n(C)c1=O)n(C)c(=[Pt])n2C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ TSHR P16473 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAOB P27338 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ PLD3 Q8IV08 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GAA P10253 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
SCHEMBL2196502 0.89 MAOB (0.41) ALDH1A1TSHRSMN1; SMN2MAPTMAOB
SCHEMBL2194634 0.89 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2MAOBRXFP1
SCHEMBL2197721 0.87 HTT (0.35) ALDH1A1TSHRSMN1; SMN2MAPTMAOB
SCHEMBL15085518 0.76 ADORA2B (0.39) ALDH1A1TSHRRXFP1LMNAADORA2B
SCHEMBL2196641 0.73 NPC1 (0.38) ALDH1A1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL2199114 0.70 ADORA2A (0.33) ALDH1A1MAOBLMNAADORA2BKMT2A
SCHEMBL2196106 0.70 CYP2C19 (0.37) ALDH1A1MAPT
SCHEMBL2197919 0.69 ADORA2A (0.35) ALDH1A1MAOBADORA2BKMT2AADORA2A
SCHEMBL2197023 0.69 CYP19A1 (0.39) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL2195281 0.69 ADORA2A (0.37) TSHRMAOBADORA2BKMT2AADORA2A

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 ALDH1A1 1989/4885TSHR 193/4885SMN1; SMN2 4069/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 ALDH1A1 1989/4885TSHR 193/4885SMN1; SMN2 4069/4885

“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.