SCHEMBL2194631

SCHEMBL2194631

Brc1ccc(CN(I)I)cc1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
TSHR P16473 1/20 0.30
KCNH2 Q12809 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2198051 0.91 MEN1 (0.33) MEN1KMT2AACHEHRH3HRH4
SCHEMBL2198390 0.86 KMT2A (0.39) KMT2AHRH3HRH4NPC1
SCHEMBL2198425 0.86 POLB (0.43) MEN1KMT2ASMN1; SMN2GLAPOLB
SCHEMBL2193529 0.86 CYP3A4 (0.41) ACHESMN1; SMN2POLB
SCHEMBL2194583 0.86 G6PC1 (0.38) MEN1KMT2A
SCHEMBL2196005 0.84 CHRM2 (0.35) CHRM2CHRM1CHRM3
SCHEMBL2196361 0.83 HSD11B1 (0.40)
SCHEMBL2195631 0.82 MEN1 (0.32) MEN1KMT2AACHESIGMAR1NPC1
SCHEMBL2195009 0.81 ALDH1A1 (0.31) POLBNPC1
SCHEMBL2194945 0.80 KMT2A (0.36) KMT2AHRH3HRH4

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 MEN1 766/4885KMT2A 4286/4885ACHE 3731/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 MEN1 766/4885KMT2A 4286/4885ACHE 3731/4885

“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.