Sugi Predict

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SCHEMBL2195049

SCHEMBL2195049

Cn1cc(-c2ccccc2)n(C)c1=[Pt].Fc1ccc(CN(I)I)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ATP1A1 P05023 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
SCHEMBL2197714 0.91 GAA (0.34) ALDH1A1GAATSHRTAAR1MEN1
SCHEMBL2195568 0.89 CYP19A1 (0.36) CYP19A1LMNAMAPTTP53TSHR
SCHEMBL2192094 0.88 CYP11B1 (0.36) CYP11B1CYP11B2ALDH1A1L3MBTL1TSHR
SCHEMBL2193567 0.88 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL2195071 0.87 CYP19A1 (0.36) CYP19A1MAPTGAATP53NPC1
SCHEMBL2195473 0.86 ALDH1A1 (0.39) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL2195162 0.83 LMNA (0.34) LMNAL3MBTL1GAAMEN1HTT
SCHEMBL2198377 0.82 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1ALDH1A1LMNA
SCHEMBL2192093 0.79 CYP19A1 (0.34) CYP19A1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL2196746 0.77 TSPO (0.39) ALDH1A1LMNAMAPTL3MBTL1KDM4E

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 CYP11B1 189/4885CYP11B2 84/4885CYP19A1 787/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 CYP11B1 189/4885CYP11B2 84/4885CYP19A1 787/4885

“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.