SCHEMBL12385121

SCHEMBL12385121

CCC1(NN)CC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 8/20 0.41
CYP3A4 P08684 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11A1 P05108 1/20 0.33
TBXAS1 P24557 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL570644 0.80 CYP19A1 (0.48) TSHRNPSR1LMNAKDM4ECYP2C19
SCHEMBL3471819 0.80 TSHR (0.48) TSHRNPSR1LMNAKDM4ECYP2C19
SCHEMBL13616676 0.68 TSHR (0.43) TSHRNPSR1LMNAKDM4ECYP2C19
SCHEMBL12385126 0.68 TSHR (0.54) TSHRNPSR1LMNAKDM4ECYP2C19
SCHEMBL3706662 0.67 TSHR (0.58) TSHRNPSR1LMNAKDM4ECYP2C19
Ethosuximide SCHEMBL4654769 0.66 TSHR (1.00) TSHRNPSR1LMNAKDM4ECYP2C19
Ethosuximide SCHEMBL20980115 0.66 TSHR (1.00) TSHRNPSR1LMNAKDM4ECYP2C19
Ethosuximide SCHEMBL118395 0.66 TSHR (1.00) TSHRNPSR1LMNAKDM4ECYP2C19
Ethosuximide SCHEMBL34212 0.66 TSHR (1.00) TSHRNPSR1LMNAKDM4ECYP2C19
SCHEMBL1322859 0.65 POLB (0.44) TSHRNPSR1KDM4ECYP19A1NFKB1

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-8389742-B2 3-hydrazino-2,5-dioxopyrrolidine-3-carboxylate, process for production of the same, and use of the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110201807-A1 3-HYDRAZINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE SAME, AND USE OF THE SAME TANAKA DAISUKE 2011-08-18 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-20110201807-A1 3-HYDRAZINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE SAME, AND USE OF THE SAME CBR3, TERT, NOX4 TSHR 511/4885NPSR1 1966/4885LMNA 4437/4885

“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.