SCHEMBL2197712

SCHEMBL2197712

Brc1ccc(CN(I)I)cc1.Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=[Pt]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
PYCR1 P32322 4/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CXCR3 P49682 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOB P27338 1/20 0.32
MEN1 O00255 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
SCHEMBL2197026 0.90 ALDH1A1 (0.37) TSHRTAAR1ALDH1A1MEN1KMT2A
SCHEMBL2197023 0.87 CYP19A1 (0.39) HTTTAAR1ALDH1A1TP53MAPT
SCHEMBL2196159 0.86 CYP19A1 (0.39) TAAR1TP53MAPTCYP11B1CYP11B2
SCHEMBL2198377 0.86 CYP19A1 (0.39) TAAR1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2192106 0.84 CXCR3 (0.46) BCHEPYCR1TSHRHTTL3MBTL1
SCHEMBL2194917 0.83 KIF11 (0.39) PYCR1TAAR1MEN1KMT2ANPSR1
SCHEMBL2192094 0.82 CYP11B1 (0.36) BCHEPYCR1TSHRHTTL3MBTL1
SCHEMBL2193595 0.81 LMNA (0.36) HTTL3MBTL1TAAR1ALDH1A1CA1
SCHEMBL2194277 0.77 BCHE (0.39) BCHEPYCR1TSHRHTTL3MBTL1
SCHEMBL2197038 0.76 PYCR1 (0.37) BCHEPYCR1TSHRHTTL3MBTL1

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 BCHE 2321/4885PYCR1 75/4885TSHR 193/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 BCHE 2321/4885PYCR1 75/4885TSHR 193/4885

“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.