SCHEMBL22916865

SCHEMBL22916865

O=C(NI)c1coc(NI)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.42
HDAC8 Q9BY41 12/20 0.37
HDAC6 Q9UBN7 12/20 0.37
NLRP3 Q96P20 6/20 0.34
KLKB1 P03952 1/20 0.32

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
SCHEMBL22916883 0.65 NPC1 (0.41) HDAC1HDAC8HDAC6NLRP3
SCHEMBL18629308 0.63 HDAC1 (0.40) HDAC1HDAC8HDAC6NLRP3KLKB1
SCHEMBL21066334 0.61 HDAC1 (0.45) HDAC1
SCHEMBL15053076 0.60 KDM4E (0.46) HDAC1
SCHEMBL23021251 0.59 HDAC1 (0.37) HDAC1HDAC8HDAC6NLRP3KLKB1
SCHEMBL3539633 0.59 ELANE (0.37) HDAC1HDAC8HDAC6NLRP3KLKB1
SCHEMBL3370259 0.59 ELANE (0.37) HDAC1HDAC8HDAC6NLRP3
SCHEMBL26333020 0.59 MAPT (0.65)
SCHEMBL18938321 0.59
SCHEMBL554753 0.58 KLKB1 (0.50) HDAC1HDAC8HDAC6KLKB1

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
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 HDAC1 6/4885HDAC8 14/4885HDAC6 25/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 HDAC1 6/4885HDAC8 14/4885HDAC6 25/4885

“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.