SCHEMBL2198307

SCHEMBL2198307

Cc1ccc(CN(I)I)cc1.Cc1cn(C)c(=[Pt])n1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 4/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 2/20 0.33
CES2 O00748 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH1 P35367 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
SCHEMBL2195737 0.94 SLC6A2 (0.31) HRH3
SCHEMBL2196231 0.89 KMT2A (0.36) KMT2AALDH1A1CNR1CNR2CYP3A4
SCHEMBL2195468 0.81 SLC6A2 (0.36) ALDH1A1KDM4E
SCHEMBL2194945 0.81 KMT2A (0.36) KMT2AALDH1A1CNR1CNR2CYP3A4
SCHEMBL2195631 0.80 MEN1 (0.32) KMT2AALDH1A1MEN1KDM4E
SCHEMBL2197081 0.80 GLA (0.36) KMT2AALDH1A1CNR1CNR2MEN1
SCHEMBL2198397 0.80 CYP3A4 (0.36) ALDH1A1CNR2CYP3A4CYP2C19CYP2C9
SCHEMBL2198390 0.80 KMT2A (0.39) KMT2AALDH1A1CNR1CNR2CYP3A4
SCHEMBL2195565 0.80 SLC18A3 (0.36) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2194214 0.78 ALDH1A1 (0.34) KMT2AALDH1A1MEN1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 KMT2A 4286/4885ALDH1A1 1989/4885CNR1 278/4885

“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.