SCHEMBL4629469

SCHEMBL4629469

COc1cc(CNC(=N)NC(=O)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.51
NAMPT P43490 1/20 0.51
SMO Q99835 2/20 0.50
ATM Q13315 1/20 0.50
PDE2A O00408 1/20 0.49
ALOX12 P18054 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL4628525 0.89 TUBB4A (0.51) SMN1; SMN2ALDH1A1LMNAL3MBTL1NAMPT
SCHEMBL6848908 0.87 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL4629411 0.81 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL12172996 0.80 HPGD (0.60) SMN1; SMN2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL4628790 0.78 NPC1 (0.72) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL4628481 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL6703757 0.77 MAPT (0.57) L3MBTL1KDM4EATM
SCHEMBL12697047 0.76 SMN1; SMN2 (0.64) SMN1; SMN2LMNAHPGDHTTL3MBTL1
SCHEMBL2919972 0.76 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL18560604 0.76 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAHPGDHTT

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-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SMN1; SMN2 53/4885ALDH1A1 858/4885LMNA 1283/4885

“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.