Ncx-4016

Ncx-4016

SCHEMBL19524

CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.57
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
ALOX5 P09917 1/20 0.42
ESR1 P03372 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 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
Ncx-4016 SCHEMBL29546681 1.00 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
Ncx-4016 SCHEMBL29813476 1.00 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL5605673 0.89 PTGS2 (0.60) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL20871763 0.89 PTGS2 (0.43) PTGS2HSD17B10CYP1A2CYP2C9MAPT
SCHEMBL4328024 0.87 PTGS2 (0.54) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4138781 0.87 PTGS2 (0.64) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL29454034 0.87 PTGS2 (0.64) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL20871352 0.86 PTGS2 (0.41) PTGS2HSD17B10CYP1A2CYP2C9MAPT
SCHEMBL4959789 0.85 PTGS2 (0.49) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL12268187 0.85 KMT2A (0.49) PTGS2HSD17B10LMNACYP1A2MAPT

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 1179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed
WO-2025230907-A1 A CXCR4 ANTAGONIST, A STATS ACTIVATOR, AND/OR AN AGENT THAT INCREASES NITRIC OXIDE CONTENT FOR USE IN METHODS OF IMPROVING NERVE REGENERATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-11-06 WO claimed
EP-3463434-B1 IMMUNOTHERAPY FOR CANCER EXCOSO A S (CZ) 2024-12-25 EP claimed
WO-2024221005-A2 METHODS FOR INHIBITING RESISTANCE TO IMMUNE BLOCKADE INHIBITOR THERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-10-24 WO claimed
EP-4426274-A1 NITRIC OXIDE DONORS FOR USE IN SURGICAL RECOVERY Baxter International Inc. (US) 2024-09-11 EP claimed
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION KEEFER, Edward (US) 2024-08-29 US claimed
US-12029755-B2 Carbon monoxide-based therapies and implantable devices for the treatment of vascular disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-07-09 US claimed
US-11969522-B2 Use of immune modulators to improve nerve regeneration THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-30 US claimed
US-11850230-B2 Composition for preventing or treating TNF-related diseases, containing novel derivative as active ingredient, and method for inhibiting TNF activity by using same ILAB (KR) 2023-12-26 US claimed
WO-2023081681-A1 NITRIC OXIDE DONORS FOR USE IN SURGICAL RECOVERY BAXTER INTERNATIONAL INC. (US) 2023-05-11 WO claimed
WO-2007054451-A1 USE OF COMBINATIONS OF NITRIC OXIDE-RELEASING ASPIRIN AND ASPIRIN FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2007-05-18 WO claimed
US-20060052437-A1 Combination of an hmg-coa reductase inhibitor and a nitrate ester SCARAMUZZINO GIOVANNI 2006-03-09 US claimed
EP-1147074-B1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX SA (FR) 2005-03-23 EP claimed
EP-1505986-A1 COMBINATION OF AN HMG-CoA REDUCTASE INHIBITOR AND A NITRATE ESTER Scaramuzzino, Giovanni (IT) 2005-02-16 EP claimed
EP-1492543-A1 DRUGS FOR THE ARTHRITIS TREATMENT Nicox S.A. (FR) 2005-01-05 EP claimed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US claimed
WO-2003094923-A1 COMBINATION OF AN HMG-CoA REDUCTASE INHIBITOR AND A NITRATE ESTER SCARAMUZZINO GIOVANNI (IT) 2003-11-20 WO claimed
WO-2003084550-A1 DRUGS FOR THE ARTHRITIS TREATMENT NICOX S.A. (FR) 2003-10-16 WO claimed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP claimed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11850230-B2 Composition for preventing or treating TNF-related diseases, containing novel derivative as active ingredient, and method for inhibiting TNF activity by using same TNF, NFKBIA, TRAF6 PTGS2 325/4885HSD17B10 735/4885KDM4E 2226/4885
US-12029755-B2 Carbon monoxide-based therapies and implantable devices for the treatment of vascular disease MB, VCAM1, NOS2 PTGS2 66/4885HSD17B10 2862/4885KDM4E 2284/4885
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION CXCR3, CXCL12, CXCR4 PTGS2 157/4885HSD17B10 4292/4885KDM4E 3304/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 PTGS2 64/4885HSD17B10 606/4885KDM4E 4320/4885
US-20060052437-A1 Combination of an hmg-coa reductase inhibitor and a nitrate ester HMGCR, NNT, VKORC1 PTGS2 52/4885HSD17B10 92/4885KDM4E 1012/4885

“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.