SCHEMBL2409615

SCHEMBL2409615

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MMP9 P14780 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DDOST P39656 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TERT O14746 1/20 0.41

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
SCHEMBL1088243 0.85 NAMPT (0.44) NAMPTEPHX1MEN1KMT2ALMNA
SCHEMBL8520214 0.83 NAMPT (0.62) NAMPTMAPK1EPHX1MEN1KMT2A
SCHEMBL621278 0.83 NAMPT (0.62) NAMPTMAPK1EPHX1MEN1KMT2A
SCHEMBL27549576 0.83 NAMPT (0.62) NAMPTMAPK1EPHX1MEN1KMT2A
SCHEMBL25398492 0.83 TSHR (0.47) TSHRMAPK1ALDH1A1TP53MAPT
SCHEMBL24003652 0.83 TSHR (0.47) TSHRMAPK1ALDH1A1TP53MAPT
Hydrochloric Acid SCHEMBL29398644 0.81 NAMPT (0.61) NAMPTMAPK1EPHX1MEN1KMT2A
Bromide SCHEMBL11445369 0.81 NAMPT (0.61) NAMPTMAPK1EPHX1MEN1KMT2A
SCHEMBL7115295 0.80 HDAC3 (0.44) NAMPTEPHX1MEN1KMT2AMAPT
SCHEMBL1723853 0.79 CTSC (0.53) MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735111-A1 SINGLE-DOMAIN ANTIBODY FOR INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY Université de Liège (BE) 2026-05-06 — — EP disclosed
WO-2025003495-A1 SINGLE-DOMAIN ANTIBODY FOR INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY Université de Liège (BE) 2025-01-02 — — WO disclosed
WO-2011103774-A1 PHARMACEUTICAL COMPOSITION AND USE THEREOF IN MANUFACTURING MEDICAMENTS FOR TREATING RESPIRATORY DISEASES THE UNIVERSITY OF HONG KONG (CN) 2011-09-01 — — WO disclosed
EP-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 — — EP disclosed
EP-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 — — EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 — — US disclosed
WO-1999026920-A1 SUBSTITUTED 3-AMINO-2-HYDROXYPHENYLACETAMIDE DERIVATIVES AS ENZYME INHIBITORS (II) CORVAS INTERNATIONAL, INC. (US) 1999-06-03 — — WO disclosed
WO-1995024207-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO., INC. (US) 1995-09-14 — — WO disclosed
EP-0529719-A1 Assay for evaluating inhibition of PMN elastase by N-Substituted Azetidinones MERCK & CO. INC. (US) 1993-03-03 — — EP 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-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 NAMPT 1622/4885TSHR 1131/4885MAPK1 2467/4885

“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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