SCHEMBL29577441

SCHEMBL29577441

CNc1c(OC)cc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TPMT P51580 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
TTR P02766 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL15551607 1.00 VCAM1 (0.48) VCAM1MAPTKDM4EALDH1A1LMNA
SCHEMBL11363206 0.89 VCAM1 (0.54) VCAM1MAPTKDM4EALDH1A1LMNA
SCHEMBL16841183 0.88 LMNA (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29847250 0.88 TPMT (0.55) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15552087 0.88 TPMT (0.55) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL25180728 0.87 VCAM1 (0.47) VCAM1MAPTKDM4EALDH1A1LMNA
SCHEMBL30947784 0.87 MAPT (0.47) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL21295074 0.87 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29240413 0.87 MAPT (0.47) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL29847044 0.87 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2AMEN1

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 11 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
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
CN-112574230-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-10-28 CN disclosed
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
CN-109790162-B Covalent inhibitors of PAD4 帕德罗科治疗公司 2022-06-28 CN disclosed
CN-114466840-A acetyl-CoA synthetase 2(ACSS2) inhibitors and methods of use thereof 威斯达研究所 2022-05-10 CN 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 (1 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 VCAM1 1606/4885MAPT 3307/4885KDM4E 172/4885

“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.