SCHEMBL22980683

SCHEMBL22980683

CC(C)(C)OC(=O)n1cc2ccc(CN=[N+]=[N-])cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.36
NR1H2 P55055 8/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
NR1H3 Q13133 3/20 0.32
KDM1A O60341 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
KDM1B Q8NB78 1/20 0.31

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
SCHEMBL22980423 0.80 KAT2B (0.36) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4149156 0.80 GPR119 (0.40) NR1H2HDAC1HDAC6NR1H3SETD7
SCHEMBL17242214 0.79 NR1H2 (0.38) NR1H2HDAC1HDAC6NR1H3SETD7
SCHEMBL16041668 0.79 NR1H2 (0.48) NR1H2HDAC1HDAC6NR1H3SETD7
SCHEMBL23727382 0.77 NR1H2 (0.36) NR1H2HDAC1HDAC6NR1H3KDM1A
SCHEMBL15878939 0.75 CHKA (0.47) HDAC6
SCHEMBL22980685 0.75 HDAC1 (0.47) HDAC8NR1H2HDAC1
SCHEMBL29405550 0.75 HDAC1 (0.47) HDAC8NR1H2HDAC1
SCHEMBL30811770 0.74 NR1H2 (0.39) HDAC8NR1H2NR1H3
SCHEMBL25976960 0.74 NR1H2 (0.39) HDAC8NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 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 (3 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 HDAC8 1183/4885NR1H2 794/4885HDAC1 286/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 HDAC8 1183/4885NR1H2 794/4885HDAC1 286/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 HDAC8 1183/4885NR1H2 794/4885HDAC1 286/4885

“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.