SCHEMBL2194524

SCHEMBL2194524

Cc1cn(C)c(=[Pt])n1C1CCCCC1.IN(I)C1CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS2 P35354 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
SCHEMBL2194213 1.00 ALDH1A1 (0.37) ALDH1A1GSK3AGSK3BGAAMEN1
SCHEMBL2196083 1.00 ALDH1A1 (0.37) ALDH1A1GSK3AGSK3BGAAMEN1
SCHEMBL2194214 0.97 ALDH1A1 (0.34) ALDH1A1GSK3AGSK3BGAAMEN1
SCHEMBL2197024 0.89
SCHEMBL2195827 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2192582 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2195385 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2196189 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2194369 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2193125 0.82 ALDH1A1 (0.31) ALDH1A1

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 2 patents. 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
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 (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 ALDH1A1 1989/4885GSK3A 2575/4885GSK3B 2292/4885

“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.