SCHEMBL2194042

SCHEMBL2194042

Brc1ccc(CN(I)I)cc1.Cn1cc(-c2ccccc2)n(Cc2ccccc2)c1=[Pt]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 3/20 0.33
GALR3 O60755 2/20 0.33
NR2F2 P24468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 3/20 0.32
NPY1R P25929 1/20 0.32
STAT3 P40763 1/20 0.32
NPY2R P49146 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
SCHEMBL2192014 0.93 HPGDS (0.34) CYP11B1CYP11B2LMNAALDH1A1KDM4E
SCHEMBL2195697 0.90 TP53 (0.38) LMNAALDH1A1GAAHTTSMN1; SMN2
SCHEMBL2196154 0.90 CNR2 (0.38) CYP11B1CYP11B2LMNAALDH1A1KDM4E
SCHEMBL2195473 0.89 ALDH1A1 (0.39) CYP11B1CYP11B2LMNAALDH1A1GAA
SCHEMBL2192094 0.86 CYP11B1 (0.36) CYP11B1CYP11B2ALDH1A1HTTCYP1A2
SCHEMBL2194315 0.86 CFTR (0.35) LMNAGAAKMT2AMEN1BCHE
SCHEMBL2196329 0.84 CNR1 (0.35) LMNAALDH1A1GAAHTTKMT2A
SCHEMBL2197714 0.79 GAA (0.34) ALDH1A1GAACYP1A2CYP2D6KMT2A
SCHEMBL2192700 0.77 DRD2 (0.37) RAB9AHPGDS
SCHEMBL2193567 0.76 CYP11B1 (0.36) CYP11B1CYP11B2LMNAALDH1A1KDM4E

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 84/4885LMNA 2301/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 CYP11B1 189/4885CYP11B2 84/4885LMNA 2301/4885

“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.