SCHEMBL3396899

SCHEMBL3396899

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.48
TACR1 P25103 1/20 0.45
FKBP4 Q02790 1/20 0.43
LMNA P02545 1/20 0.42
XIAP P98170 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8691338 0.94 ELANE (0.46) ELANETACR1FKBP4LMNAXIAP
SCHEMBL8010107 0.90 FKBP4 (0.46) ELANETACR1FKBP4LMNAMMP2
SCHEMBL1257864 0.88 LMNA (0.53) TACR1LMNAMMP2MMP9MAPK1
SCHEMBL5501048 0.86 TACR1 (0.47) TACR1FKBP4LMNAMMP2TRPV1
SCHEMBL6523783 0.85 CMA1 (0.48) ELANE
SCHEMBL7277525 0.85 TACR1 (0.43) ELANETACR1FKBP4LMNAMMP2
SCHEMBL3244930 0.84 ELANE (0.43) ELANETACR1FKBP4LMNAXIAP
SCHEMBL3667052 0.84 FKBP4 (0.58) TACR1FKBP4
SCHEMBL27824844 0.83 LMNA (0.48) TACR1LMNAMMP2MMP9MAPK1
SCHEMBL1296384 0.83 LMNA (0.48) TACR1LMNAMMP2MMP9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709365-A2 FORMULATIONS OF PECTOLINARIGENIN Debut Biotechnology, Inc. (US) 2026-03-18 EP disclosed
EP-4037687-B1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS MOLECULAR SKIN THERAPEUTICS INC (US) 2025-10-29 EP disclosed
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2025-04-22 US disclosed
WO-2025035070-A1 FORMULATIONS OF ERIODICTYOL Debut Biotechnology, Inc. (US) 2025-02-13 WO disclosed
CN-114615984-B Benzoxazinone compounds as dual KLK5/7 inhibitors 分子皮肤治疗公司 2025-02-07 CN disclosed
WO-2024233739-A2 FORMULATIONS OF PECTOLINARIGENIN Debut Biotechnology, Inc. (US) 2024-11-14 WO disclosed
WO-2024233754-A2 FORMULATIONS OF 4,6,4'-TRIHYDROXY-3'- METHOXYAURONE Debut Biotechnology, Inc. (US) 2024-11-14 WO disclosed
WO-2024233743-A2 FORMULATIONS OF CALYCOSIN Debut Biotechnology, Inc. (US) 2024-11-14 WO disclosed
WO-2024233751-A2 FORMULATIONS OF CARDAMONIN Debut Biotechnology, Inc. (US) 2024-11-14 WO disclosed
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 US disclosed
CN-113038949-B Neutrophil inflammation inhibitor and application thereof 长庚学校长庚科技大学 2023-07-14 CN disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
EP-4037687-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS Molecular Skin Therapeutics, Inc. (US) 2022-08-10 EP disclosed
CN-114615984-A Benzoxazinone compounds as KLK5/7 dual inhibitors 分子皮肤治疗公司 2022-06-10 CN disclosed
WO-2012148527-A2 BIOACTIVE BOTANICAL COSMETIC COMPOSITIONS AND PROCESSES FOR THEIR PRODUCTION AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-11-01 WO disclosed
EP-2203059-A1 METHOD OF TREATING INHERITED SEVERE NEUTROPENIA Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
WO-2009035541-A1 METHOD OF TREATING INHERITED SEVERE NEUTROPENIA MERCK & CO., INC. (US) 2009-03-19 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-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 ELANE 300/4885TACR1 3719/4885FKBP4 1580/4885
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 ELANE 300/4885TACR1 3719/4885FKBP4 1580/4885
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 ELANE 300/4885TACR1 3719/4885FKBP4 1580/4885

“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.