SCHEMBL4628979

SCHEMBL4628979

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

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
TP53 P04637 2/20 0.76
ALDH1A1 P00352 3/20 0.65
GAA P10253 2/20 0.65
NPSR1 Q6W5P4 2/20 0.59
AGTR1 P30556 1/20 0.55
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL21561728 0.87 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4629403 0.84 CRHBP (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4628524 0.82 NAMPT (0.63) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4628487 0.78 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4628446 0.78 SCN5A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL5923403 0.76 NFKB1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28765144 0.75 RAB9A (0.78) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4627472 0.75 RAB9A (0.79) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL4628721 0.74 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4629422 0.74 MEN1 (0.52) NPC1RAB9ASMN1; SMN2TP53GAA

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 NPC1 140/4885RAB9A 617/4885SMN1; SMN2 53/4885

“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.