SCHEMBL5314683

SCHEMBL5314683

O=C(O)CCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
ME2 P23368 1/20 0.53
ME1 P48163 1/20 0.53
ME3 Q16798 1/20 0.53
REV1 Q9UBZ9 1/20 0.52
KCNA5 P22460 1/20 0.52
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL14520828 0.90 HDAC1 (0.62) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL5308328 0.89 HDAC3 (0.61) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL5308137 0.88 MEN1 (0.60) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL14520805 0.85 HDAC3 (0.65) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL14520829 0.85 ALDH1A1 (0.59) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL14520802 0.83 HDAC3 (0.62) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL6893687 0.82 ALDH1A1 (0.79) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL5605575 0.81 MEN1 (0.63) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14192211 0.80 ALDH1A1 (0.72) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL5333226 0.79 SLC27A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 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-20070088043-A1 Novel HDAC inhibitors HDAC1, HDAC11, HDAC5 MEN1 4128/4885KMT2A 168/4885ALDH1A1 681/4885

“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.