SCHEMBL2198376

SCHEMBL2198376

Brc1ccc(CN(I)I)cc1.Cn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=[Pt]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
PYCR1 P32322 1/20 0.33
GPR183 P32249 2/20 0.32
PARK7 Q99497 1/20 0.32
CHKA P35790 1/20 0.32
SLC6A4 P31645 1/20 0.31
MDM2 Q00987 1/20 0.31
OPRL1 P41146 1/20 0.31
PDE2A O00408 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
SCHEMBL2196021 0.94 KDM4E (0.36) KDM4EALDH1A1HTR6SMN1; SMN2MAPT
SCHEMBL2193845 0.90 POLB (0.39) KDM4EALDH1A1HTR6SMN1; SMN2MAPT
SCHEMBL2197087 0.90 MAPT (0.43) KDM4EALDH1A1HTR6SMN1; SMN2MAPT
SCHEMBL2195738 0.90 OPRL1 (0.40) KDM4EALDH1A1HTR6SMN1; SMN2MAPT
SCHEMBL2193860 0.90 KDM4E (0.36) KDM4EALDH1A1HTR6SMN1; SMN2MAPT
SCHEMBL2192896 0.88 MAPT (0.46) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2194667 0.87 BACE1 (0.39) ALDH1A1MAPT
SCHEMBL2198454 0.86 PYCR1 (0.37) IDO1KDM4EALDH1A1SMN1; SMN2PYCR1
SCHEMBL2197265 0.84 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTOPRL1
SCHEMBL2195721 0.84 MAPT (0.36) KDM4EALDH1A1HTR6SMN1; SMN2MAPT

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 IDO1 836/4885KDM4E 4803/4885ALDH1A1 1989/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 IDO1 836/4885KDM4E 4803/4885ALDH1A1 1989/4885

“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.