SCHEMBL4628524

SCHEMBL4628524

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.63
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AGTR1 P30556 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL13167592 0.87 NAMPT (0.82) NAMPTRAB9ANPC1MEN1KMT2A
SCHEMBL4628979 0.82 NPC1 (0.76) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4629228 0.79 NPC1 (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4627548 0.78 NPC1 (0.73) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5923403 0.76 NFKB1 (0.59) RAB9ANPC1KMT2AALDH1A1LMNA
SCHEMBL4627472 0.75 RAB9A (0.79) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3872792 0.74 NAMPT (0.78) NAMPTRAB9ANPC1MEN1KMT2A
SCHEMBL23343643 0.74 NAMPT (0.79) NAMPTRAB9ANPC1MEN1KMT2A
SCHEMBL22983024 0.74 ROCK2 (0.69) NAMPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL4628531 0.74 RAB9A (0.56) NAMPTRAB9ANPC1MEN1KMT2A

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 NAMPT 773/4885RAB9A 617/4885NPC1 140/4885

“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.