L-Nio

L-Nio

SCHEMBL30007317

CC(N)=NCCC[C@H](N)C(=O)O.Cl.Cl

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of L-Nio. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLA known ✓ P06280 1/20 0.70
▸ NOS2 P35228 12/20 0.96
▸ NOS1 P29475 9/20 0.96
▸ NOS3 P29474 6/20 0.96
▸ CYP2C19 P33261 3/20 0.96
▸ MEN1 O00255 1/20 0.96
▸ KMT2A Q03164 1/20 0.96
▸ BLM P54132 1/20 0.90
▸ CYP1A2 P05177 2/20 0.86
▸ TSHR P16473 2/20 0.86
▸ CYP3A4 P08684 1/20 0.86
▸ NFKB1 P19838 1/20 0.70
▸ APEX1 P27695 1/20 0.70
▸ DDAH1 O94760 5/20 0.67
▸ THPO P40225 1/20 0.65

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
L-Nio SCHEMBL30728400 1.00 NOS2 (0.96) NOS2NOS1NOS3CYP2C19MEN1
L-Nio SCHEMBL15944942 0.98 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
L-Nil SCHEMBL30703422 0.95 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
L-Nil SCHEMBL31294843 0.95 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
L-Nil SCHEMBL26908936 0.93 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
L-Nil SCHEMBL26908438 0.93 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL31591103 0.85 NOS2 (0.89) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL30074239 0.85 NOS2 (0.96) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL29361849 0.85 NOS2 (0.96) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL43261 0.82 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709378-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2026-03-18 — — EP claimed
WO-2025122600-A1 COMPOSITIONS AND METHODS FOR TREATING ABERRANT NITROSYLATION CASE WESTERN RESERVE UNIVERSITY (US) 2025-06-12 — — WO claimed
WO-2024231899-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-11-14 — — WO claimed
WO-2024224296-A2 TARGETED PHARMACEUTICAL COMPOSITIONS TO TREAT NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-10-31 — — WO claimed
EP-4709378-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2026-03-18 — — EP disclosed
US-20250255850-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2025-08-14 — — US disclosed
WO-2025122600-A1 COMPOSITIONS AND METHODS FOR TREATING ABERRANT NITROSYLATION CASE WESTERN RESERVE UNIVERSITY (US) 2025-06-12 — — WO disclosed
WO-2024231899-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-11-14 — — WO disclosed
WO-2024224296-A2 TARGETED PHARMACEUTICAL COMPOSITIONS TO TREAT NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-10-31 — — WO disclosed
US-20240316006-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-09-26 — — US disclosed
EP-4337197-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2024-03-20 — — EP disclosed
WO-2022239001-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-11-17 — — 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 (2 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-20240316006-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS NLN, ACHE, SMN1; SMN2 GLA 1233/4885NOS2 17/4885NOS1 28/4885
US-20250255850-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS NLN, ACHE, PYGB GLA 712/4885NOS2 13/4885NOS1 18/4885

“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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