SCHEMBL4628461

SCHEMBL4628461

COc1cc(NC(=N)NC(=O)c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.57
SCN2A Q99250 1/20 0.57
ATM Q13315 1/20 0.55
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.48
P4HTM Q9NXG6 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL4628756 0.90 TP53 (0.56) ATMGAAMAPK1MAPTKMT2A
SCHEMBL11911338 0.84 SMO (0.67) GAAKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL4628473 0.84 MAPT (0.56) ATMGAAMAPK1MAPTKMT2A
SCHEMBL5276408 0.82 SMN1; SMN2 (0.48) ATMGAAMAPK1MAPTKMT2A
SCHEMBL11911340 0.82 SMO (0.71) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL3074365 0.80 NPC1 (0.67) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4104318 0.77 SMN1; SMN2 (0.51) ATMGAAMAPK1MAPTKMT2A
SCHEMBL8224616 0.77 SMO (0.65) KMT2ASMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL8219590 0.77 SMO (0.79) ATMGAAMAPTKMT2AMEN1
SCHEMBL8211867 0.76 SMO (0.77) ATMKMT2AMEN1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN5A 1196/4885SCN2A 1613/4885ATM 3301/4885

“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.