SCHEMBL5282375

SCHEMBL5282375

CC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 2/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
DDR2 Q16832 2/20 0.43
MAPK14 Q16539 1/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL6037978 0.89 LMNA (0.47) AOC3SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL6038138 0.89 MAPT (0.50) KMT2ARAB9ANPC1DDR2MAPK14
SCHEMBL6038018 0.87 RAB9A (0.48) AOC3SMN1; SMN2RAB9A
SCHEMBL6038109 0.87 DDR2 (0.51) SMN1; SMN2KMT2ARAB9ANPC1DDR2
SCHEMBL5280368 0.87 RAB9A (0.43) SMN1; SMN2KMT2ARAB9ANPC1DDR2
SCHEMBL6037944 0.87 LMNA (0.48) MAOBKMT2ARAB9ANPC1DDR2
SCHEMBL5279990 0.86 ROCK2 (0.46) MAOBKMT2ARAB9ANPC1DDR2
SCHEMBL6038350 0.84 DDR2 (0.42) AOC3SMN1; SMN2RAB9ADDR2MAPK14
SCHEMBL5280650 0.84 RAB9A (0.45) SMN1; SMN2RAB9ATP53LMNA
SCHEMBL6037949 0.84 RAB9A (0.49) SMN1; SMN2KMT2ARAB9ANPC1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 AOC3 3937/4885SMN1; SMN2 3733/4885MAOB 750/4885

“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.