SCHEMBL23970743

SCHEMBL23970743

COC(=O)c1cc(N)nc(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
ALDH1A1 P00352 3/20 0.76
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44

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
SCHEMBL29642232 1.00 KDM4E (0.76) KDM4EALDH1A1CA1CA2CA12
SCHEMBL4778188 0.87 KDM4E (0.59) KDM4EALDH1A1CA1CA2CA12
SCHEMBL2715034 0.84 KDM4E (0.56) KDM4EALDH1A1CA1CA2CA12
SCHEMBL5854930 0.83 ALDH1A1 (0.53) KDM4EALDH1A1CA1CA2CA12
SCHEMBL20488853 0.82 KDM4E (0.55) KDM4EALDH1A1CA1CA2CA12
SCHEMBL583987 0.80 ALDH1A1 (0.79) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31414452 0.80 KDM4E (0.79) KDM4EALDH1A1CA1CA2CA12
SCHEMBL1620578 0.80 ALDH1A1 (0.79) KDM4EALDH1A1CA1CA2CA12
SCHEMBL1291158 0.80 KDM4E (0.52) KDM4EALDH1A1CA1CA2CA12
SCHEMBL197166 0.80 KDM4E (0.79) KDM4EALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. 2025-05-01 US disclosed
EP-4433477-A1 PAD4 INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2024-09-25 EP disclosed
CN-118679162-A PAD4 inhibitors and uses thereof 锐格药业公司 2024-09-20 CN disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 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 (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-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF PADI4, PADI6, PADI2 KDM4E 172/4885ALDH1A1 273/4885CA1 2332/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KDM4E 936/4885ALDH1A1 2537/4885CA1 2579/4885

“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.