SCHEMBL20734829

SCHEMBL20734829

O=C(NCCCCCCCCCCCNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.82
HDAC2 Q92769 6/20 0.82
HDAC8 Q9BY41 6/20 0.82
HDAC6 Q9UBN7 6/20 0.82
HDAC3 O15379 5/20 0.82
HDAC4 P56524 5/20 0.82
HDAC7 Q8WUI4 5/20 0.82
HDAC10 Q969S8 5/20 0.82
HDAC11 Q96DB2 5/20 0.82
HDAC9 Q9UKV0 5/20 0.82
HDAC5 Q9UQL6 5/20 0.82
NAAA Q02083 1/20 0.82
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
MAPK1 P28482 1/20 0.69
NAMPT P43490 1/20 0.66
GAA P10253 1/20 0.65
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL9188890 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9489756 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9452844 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9489804 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9492328 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9492235 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7460068 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8779817 0.98 HDAC1 (0.79) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9491686 0.93 NPC1 (0.75) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9321669 0.92 HDAC1 (0.72) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-04-26 US disclosed
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 US disclosed
WO-2019032640-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/MTOR AND MEK/PI3K/MTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-14 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 (2 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-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds MTOR, JAK2, JAK1 HDAC1 740/4885HDAC2 1342/4885HDAC8 930/4885
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS MTOR, JAK2, JAK1 HDAC1 740/4885HDAC2 1342/4885HDAC8 930/4885

“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.