SCHEMBL3777967

SCHEMBL3777967

Cc1ccc(N(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
MT-CO2 P00403 1/20 0.31
STAT5B P51692 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
PAX8 Q06710 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
SCHEMBL17894521 0.89 MIF (0.36) MT-CO2PAX8
SCHEMBL3785117 0.87 KMT2A (0.34) ALDH1A1MAPTPAX8
SCHEMBL15876020 0.86 MAPT (0.39) ALDH1A1MAPTPAX8
SCHEMBL3778075 0.85 TP53 (0.31) MAPT
SCHEMBL3775825 0.85 KDM4E (0.33) KDM4EALDH1A1MAPTPAX8
SCHEMBL3365949 0.83 NQO2 (0.36) KDM4EALDH1A1PAX8
SCHEMBL7964967 0.83
SCHEMBL3771902 0.82 PPARA (0.38) PAX8
SCHEMBL3784231 0.81 MT-CO2 (0.31) MT-CO2
SCHEMBL6753838 0.80 KDM4E (0.42) KDM4EALDH1A1GPR119PAX8

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-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 US disclosed
WO-2009080818-A2 GUANIDINE BASED COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2009-07-02 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 (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-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C SCN2A 185/4885KDM4E 2751/4885ALDH1A1 870/4885

“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.