SCHEMBL23970462

SCHEMBL23970462

COC(=O)c1cc(N)c(NC2CC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
ALOX15 P16050 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL30159106 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL23970463 0.85 L3MBTL1 (0.39) KDM4EALDH1A1L3MBTL1USP2MAPT
SCHEMBL23971173 0.83 ALDH1A1 (0.42) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL21820607 0.83 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL23970710 0.83 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL30158941 0.83 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL30850098 0.83 ALDH1A1 (0.42) KDM4EALDH1A1LMNAL3MBTL1USP2
SCHEMBL18940647 0.80 KDM4E (0.49) KDM4EALDH1A1LMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL18940563 0.79 KDM4E (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL31215291 0.79 KDM4E (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-11878965-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-01-23 US disclosed
EP-4267562-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-11-01 EP disclosed
US-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-03-23 US disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2022140390-A1 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
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 (4 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-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KDM4E 936/4885ALDH1A1 2537/4885LMNA 2684/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 KDM4E 936/4885ALDH1A1 2537/4885LMNA 2684/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KDM4E 936/4885ALDH1A1 2537/4885LMNA 2684/4885
US-11878965-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 KDM4E 936/4885ALDH1A1 2537/4885LMNA 2684/4885

“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.