SCHEMBL12100693

SCHEMBL12100693

COC(=O)c1cc(N)c(NCc2ccc(OC)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ASPH Q12797 1/20 0.47
▸ RIOX2 Q8IUF8 1/20 0.47
▸ KDM8 Q8N371 1/20 0.47
▸ CD38 P28907 1/20 0.45
▸ VNN1 O95497 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NCF1 P14598 1/20 0.43
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 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
SCHEMBL12099986 0.86 KDM4E (0.48) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL31727432 0.85 HDAC1 (0.47) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL12099879 0.81 KMT2A (0.51) KDM4EASPHRIOX2KDM8ALDH1A1
SCHEMBL12004538 0.79 GAA (0.54) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL7871463 0.79 HDAC1 (0.56) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL31726503 0.78 HDAC1 (0.47) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL9683331 0.75 MAP2K4 (0.52) HDAC1GAAMAPTNCF1KCNQ3
SCHEMBL24636068 0.74 MAPT (0.59) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL4315483 0.74 NCF1 (0.53) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL2248317 0.74 KDM4E (0.46) KDM4EGAAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 — — EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 — — US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 — — EP disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 — — US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 — — 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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HDAC1 457/4885KDM4E 3115/4885ASPH 1660/4885

“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.

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