SCHEMBL22980685

SCHEMBL22980685

CC(C)(C)OC(=O)N1Cc2ccc(CN=[N+]=[N-])cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
NAMPT P43490 5/20 0.41
MAPK1 P28482 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
DPP9 Q86TI2 2/20 0.36
ROCK2 O75116 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL29405550 1.00 HDAC1 (0.47) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL31075156 0.91 ESR2 (0.61) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL29974005 0.81 ESR2 (0.54) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL1650190 0.81 ESR2 (0.54) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL22980424 0.81 DPP9 (0.39) HDAC1NAMPTDPP9HDAC8DPP8
SCHEMBL8921662 0.80 NR1H2 (0.55) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL30895660 0.80 ESR2 (0.53) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL29868910 0.80 NR1H2 (0.55) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL18883051 0.80 ESR2 (0.53) HDAC1ESR2NR1H2DDB1CRBN
SCHEMBL18379840 0.80 ESR2 (0.53) HDAC1ESR2NR1H2DDB1CRBN

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 12 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-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
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
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
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO 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 HDAC1 286/4885ESR2 2034/4885NR1H2 794/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 HDAC1 286/4885ESR2 2034/4885NR1H2 794/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 HDAC1 286/4885ESR2 2034/4885NR1H2 794/4885

“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.