SCHEMBL4628685

SCHEMBL4628685

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
SCN2A Q99250 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.44
NLRP3 Q96P20 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESRRB O95718 1/20 0.42
ESRRG P62508 1/20 0.42
CTSD P07339 1/20 0.42
CCR3 P51677 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4629301 0.81 CNR2 (0.58) ALDH1A1SCN2ARAB9ANLRP3CTSD
SCHEMBL4628762 0.78 CNR2 (0.60) SCN2AKMT2ARAB9ANPC1HPGD
SCHEMBL4628743 0.77 SCN2A (0.67) ALDH1A1SCN2ARAB9ANPC1SMN1; SMN2
SCHEMBL4628939 0.76 KMT2A (0.54) SLC22A2SLC22A1SLC22A3SCN2AMEN1
SCHEMBL13167581 0.74 EPHX2 (0.69) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4989474 0.73 LMNA (0.52) SLC22A2SLC22A1SLC22A3RAB9ALMNA
SCHEMBL4628681 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL5430604 0.73 HDAC2 (0.53) ALDH1A1RAB9ALMNANPC1HPGD
SCHEMBL3278159 0.73 LMNA (0.68) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL4629231 0.72 SCN2A (0.69) SLC22A2SLC22A1SLC22A3SCN2ARAB9A

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 ALDH1A1 858/4885SLC22A2 1509/4885SLC22A1 1784/4885

“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.