SCHEMBL14580974

SCHEMBL14580974

CCC(=O)NCC(=O)NCC(=O)NOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
HDAC3 O15379 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL906398 0.89 RAB9A (0.62) RAB9ANPC1HDAC3NCOR2KMT2A
SCHEMBL15265396 0.84 NPC1 (0.57) RAB9ANPC1HDAC3NCOR2
SCHEMBL7275144 0.81 NPC1 (0.57) RAB9ANPC1HDAC3NCOR2ALDH1A1
SCHEMBL19328790 0.80 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1
SCHEMBL18500725 0.78 SYK (0.51) RAB9ANPC1KMT2A
SCHEMBL13296294 0.78 KMT2A (0.56) RAB9AKMT2AGAAALDH1A1
SCHEMBL13087734 0.78 NPC1 (0.57) RAB9ANPC1HDAC3NCOR2ALDH1A1
SCHEMBL2037095 0.78 NPC1 (0.57) RAB9ANPC1HDAC3NCOR2KMT2A
SCHEMBL27562115 0.76 RAB9A (0.47) RAB9ANPC1HDAC3NCOR2KMT2A
SCHEMBL13314114 0.76 NPC1 (0.59) RAB9ANPC1HDAC3NCOR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070048752-A1 Mass tags for quantitative analyses APPLERA CORPORATION (US) 2007-03-01 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-20070048752-A1 Mass tags for quantitative analyses SRMS, PTMS, TMT1A RAB9A 3550/4885NPC1 2758/4885HDAC3 2951/4885

“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.