SCHEMBL4628531

SCHEMBL4628531

CC(C)(C)c1ccc(N=C(N)NC(=O)c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
NAMPT P43490 1/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
AGTR1 P30556 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 3/20 0.48
ALOX12 P18054 1/20 0.48
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45

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
SCHEMBL4628985 0.83 SCN5A (0.64) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL4629231 0.79 SCN2A (0.69) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL4627551 0.78 POLB (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL23925714 0.76 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL4627476 0.75 SCN2A (0.69) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL13167592 0.75 NAMPT (0.82) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL6150372 0.75 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL4628524 0.74 NAMPT (0.63) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL4628467 0.74 SCN2A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9768844 0.73 GAA (0.76) RAB9ANPC1ALDH1A1LMNAMAPT

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 RAB9A 617/4885NPC1 140/4885ALDH1A1 858/4885

“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.