SCHEMBL26795642

SCHEMBL26795642

CNC(=O)c1coc(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
HDAC1 Q13547 9/20 0.36
HDAC6 Q9UBN7 9/20 0.36
HDAC8 Q9BY41 8/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BRD4 O60885 2/20 0.34
HPGD P15428 1/20 0.34
HDAC4 P56524 1/20 0.34
CNR1 P21554 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL12596601 0.86 HPGD (0.36) IRAK4HDAC1HDAC6HDAC8BAZ2B
SCHEMBL18407331 0.84 IRAK4 (0.39) IRAK4HDAC1HDAC6HDAC8CNR1
SCHEMBL22618722 0.81 NPC1 (0.40) IRAK4HDAC1HDAC6HDAC8HPGD
SCHEMBL12894573 0.81 PARP1 (0.34) IRAK4HDAC1HDAC6HDAC8BAZ2B
SCHEMBL23193123 0.80 IRAK4 (0.38) IRAK4HDAC1HDAC6HDAC8CNR1
SCHEMBL20464221 0.80 HDAC6 (0.39) IRAK4HDAC1HDAC6HDAC8HPGD
SCHEMBL8965333 0.79 KDM4E (0.35) IRAK4HDAC1HDAC6HDAC8
SCHEMBL17281398 0.79 DAGLA (0.36) IRAK4
SCHEMBL20462599 0.79 NPC1 (0.43) IRAK4HPGDNPC1POLBRAB9A
SCHEMBL77505 0.79 DAGLA (0.40) IRAK4HDAC1HDAC6HDAC8NLRP3

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-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 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 (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-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 IRAK4 4064/4885HDAC1 42/4885HDAC6 16/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 IRAK4 4064/4885HDAC1 42/4885HDAC6 16/4885

“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.