SCHEMBL4628422

SCHEMBL4628422

CCCCOc1ccc(C(=O)NC(N)=NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
SCN5A Q14524 8/20 0.62
SCN2A Q99250 8/20 0.62
KCNA5 P22460 2/20 0.52
KCNH2 Q12809 1/20 0.52
ADORA2A P29274 2/20 0.52
ACHE P22303 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
BCHE P06276 1/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL4628984 0.85 MEN1 (0.80) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4629003 0.83 MEN1 (1.00) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4628959 0.81 SCN2A (0.88) MAPTMEN1KMT2ASCN5ASCN2A
SCHEMBL4628455 0.80 NPC1 (0.62) MAPTMEN1KMT2AKCNA5KCNH2
SCHEMBL4628482 0.78 KMT2A (0.66) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4629257 0.78 SCN2A (0.94) MAPTMEN1KMT2ASCN5ASCN2A
SCHEMBL4627417 0.77 SCN5A (1.00) MAPTMEN1KMT2ASCN5ASCN2A
SCHEMBL4628737 0.76 SCN5A (0.98) MAPTMEN1KMT2ASCN5ASCN2A
SCHEMBL4628754 0.75 MEN1 (0.67) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4628771 0.75 SCN5A (0.70) MEN1KMT2ANPSR1L3MBTL1SCN5A

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 9 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
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 MAPT 705/4885MEN1 1819/4885KMT2A 3245/4885

“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.