SCHEMBL3771902

SCHEMBL3771902

CC(C)(C)OC(=O)N=C(N)N(C(=O)OC(C)(C)C)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 1/20 0.35
LTA4H P09960 1/20 0.35
SLC22A2 O15244 1/20 0.35
AKT1 P31749 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PAX8 Q06710 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL3785117 0.89 KMT2A (0.34) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL3775825 0.86 KDM4E (0.33) HDAC3HDAC1HDAC2NCOR2PAX8
SCHEMBL15876020 0.83 MAPT (0.39) PAX8CA12CA1
SCHEMBL17894521 0.82 MIF (0.36) PAX8
SCHEMBL3777967 0.82 SCN2A (0.32) PAX8
SCHEMBL7964967 0.81
SCHEMBL207903 0.80 MTNR1B (0.35) L3MBTL1
SCHEMBL2364237 0.79 ANPEP (0.39)
SCHEMBL2242323 0.78 F2 (0.45)
SCHEMBL17894520 0.78 AKT1 (0.42) HDAC3HDAC1HDAC2NCOR2L3MBTL1

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 PPARA 1974/4885PPARG 547/4885PLA2G10 1409/4885

“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.