Sugi Predict

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SCHEMBL2193567

SCHEMBL2193567

Clc1ccc(CN(I)I)cc1.Cn1cc(-c2ccccc2)n(C)c1=[Pt]

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
▸ CNR2 P34972 1/20 0.33
▸ ATP1A1 P05023 2/20 0.33
▸ ATP1B1 P05026 2/20 0.33
▸ ATP1A3 P13637 2/20 0.33
▸ ATP1B2 P14415 2/20 0.33
▸ ATP1A2 P50993 2/20 0.33
▸ ATP1B3 P54709 2/20 0.33
▸ FXYD2 P54710 2/20 0.33
▸ ATP1A4 Q13733 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ STAT3 P40763 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
SCHEMBL2197714 0.91 GAA (0.34) ALDH1A1MEN1KMT2ATAAR1
SCHEMBL2195568 0.89 CYP19A1 (0.36) CYP19A1POLBNPC1MEN1LMNA
SCHEMBL2195049 0.88 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1ATP1A1ATP1B1
SCHEMBL2192094 0.88 CYP11B1 (0.36) CYP11B1CYP11B2ALDH1A1TAAR1MAPK1
SCHEMBL2196154 0.87 CNR2 (0.38) CYP11B1CYP11B2CYP19A1CNR2KDM4E
SCHEMBL2195071 0.84 CYP19A1 (0.36) CYP19A1POLBNPC1MEN1MAPT
SCHEMBL2195162 0.83 LMNA (0.34) MEN1LMNAKMT2A
SCHEMBL2196159 0.82 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1CNR2NPC1
SCHEMBL2192014 0.80 HPGDS (0.34) CYP11B1CYP11B2KDM4EALDH1A1LMNA
SCHEMBL2192772 0.79 CYP19A1 (0.34) CYP19A1CNR2KDM4EALDH1A1NPC1

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.