SCHEMBL4599951

SCHEMBL4599951

Cc1ccc(NC(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
SLC6A3 Q01959 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
GLA P06280 1/20 0.42
PAX8 Q06710 1/20 0.42
BRD4 O60885 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL4599955 1.00 TDP1 (0.52) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL17592256 0.90 CA1 (0.48) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL6287916 0.90 CA1 (0.48) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL6287020 0.90 CA1 (0.48) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL20067638 0.89 SPHK1 (0.49) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL30746081 0.86 DPP8 (0.48) KDM4EMAPTNPSR1CA1CA2
SCHEMBL2928021 0.86 MEN1 (0.53) TDP1MAPTNPSR1CA1CA2
SCHEMBL21097234 0.85 ANPEP (0.49) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL19931686 0.85 CA1 (0.49) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL30377486 0.85 CA1 (0.49) TDP1KDM4EMAPTNPSR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 TDP1 2950/4885KDM4E 1934/4885MAPT 4413/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TDP1 82/4885KDM4E 3541/4885MAPT 3090/4885

“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.