SCHEMBL29636747

SCHEMBL29636747

C/C=C\c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ GCK P35557 1/20 0.40
▸ MAPKAPK2 P49137 2/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38

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
SCHEMBL28579578 1.00 HDAC1 (0.41) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL21375791 1.00 HDAC1 (0.41) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL12143915 0.86 HDAC1 (0.40) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL479056 0.86 NAMPT (0.43) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL28849745 0.84 NAMPT (0.42) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL19398230 0.82 RAB9A (0.45) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL21355211 0.79 RAB9A (0.46) HDAC1GCKRAB9ANPC1SMN1; SMN2
SCHEMBL21355214 0.79 RAB9A (0.46) HDAC1GCKRAB9ANPC1SMN1; SMN2
SCHEMBL31737264 0.78 GSK3B (0.45) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL596259 0.78 HDAC3 (0.50) HDAC1NAMPTMAPKAPK2MIFRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 — — US disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 — — US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 — — 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 (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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 HDAC1 2162/4885NAMPT 660/4885GRIN2B 4212/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 HDAC1 2162/4885NAMPT 660/4885GRIN2B 4212/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HDAC1 2162/4885NAMPT 660/4885GRIN2B 4212/4885

“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.

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