SCHEMBL22980423

SCHEMBL22980423

[N-]=[N+]=NCc1ccc2cn(C(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 1/20 0.34
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
F7 P08709 1/20 0.31
F3 P13726 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
SCHEMBL22980683 0.80 HDAC8 (0.36) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4706840 0.76 CA2 (0.42) PTGS1AKR1C3AKR1C2
SCHEMBL30489877 0.73 HDAC3 (0.35) KAT2BHDAC1HDAC2HDAC3HDAC8
SCHEMBL31395487 0.72 CYP2A6 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL28313779 0.71 CYP2A6 (0.48)
SCHEMBL31395267 0.71 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL22980424 0.70 DPP9 (0.39) KAT2BHDAC1HDAC2HDAC3HDAC8
SCHEMBL31395679 0.70 HDAC1 (0.40) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL17311578 0.69 CHKA (0.53) HDAC6
SCHEMBL16750950 0.68 PPARA (0.48) HDAC1HDAC2HDAC3HDAC8HDAC6

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-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-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

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 KAT2B 796/4885HDAC1 286/4885HDAC2 425/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 KAT2B 796/4885HDAC1 286/4885HDAC2 425/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 KAT2B 796/4885HDAC1 286/4885HDAC2 425/4885

“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.