SCHEMBL1389554

SCHEMBL1389554

NCCCCCNC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.64
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
MEN1 O00255 1/20 0.48
PLG P00747 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
SLC6A2 P23975 1/20 0.48
RECQL P46063 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7004889 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
SCHEMBL7010157 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
SCHEMBL7007901 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
SCHEMBL16247098 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
SCHEMBL944344 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
SCHEMBL3065839 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
SCHEMBL7010487 1.00 PAOX (0.64) PAOXMAOAMAOBALDH1A1ALOX15
Hydrochloric Acid SCHEMBL25353689 0.98 PAOX (0.61) PAOXMAOAMAOBALDH1A1ALOX15
Hydrochloric Acid SCHEMBL15155878 0.98 PAOX (0.61) PAOXMAOAMAOBALDH1A1ALOX15
Ammonia Solution, Strong SCHEMBL8683457 0.98 PAOX (0.61) PAOXMAOAMAOBALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed
WO-2025040153-A1 METHOD FOR PREPARING ISOCYANATE AND DEVICE 摩珈(上海)生物科技有限公司 2025-02-27 WO disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
EP-4373819-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-05-29 EP disclosed
WO-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed
EP-4370157-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES Lycia Therapeutics, Inc. (US) 2024-05-22 EP disclosed
EP-4363422-A1 MACROCYCLIC TAK1 INHIBITORS Aqilion AB (SE) 2024-05-08 EP disclosed
WO-2024092274-A2 ENDOCYTIC AGENTS BIOVENTURES, LLC (US) 2024-05-02 WO disclosed
EP-4329815-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS Novartis AG (CH) 2024-03-06 EP disclosed
US-11905291-B2 2024-02-20 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2008155421-A2 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 WO disclosed
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 US disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
US-20030225007-A1 Sulfonamide derivatives of 3-substituted imidazol[1,2-d]-1,2,4-thiadiazoles and 3-substituted-[1,2,4] thiadiazolo[4,5-a] benzimidazole as inhibitors of fibrin cross-linking and transglutaminases APOTEX INC. 2003-12-04 US disclosed
EP-1348710-A1 Sulfonamide derivatives of 3-substituted imidazo[1,2-D]-1,2,4-thiadiazoles and 3-substituted-[1,2,4]thiadiazolo[4,5-A]benzimidazole as inhibitors of fibrin cross-linking and transglutaminases Apotex Inc. (CA) 2003-10-01 EP disclosed
EP-0238202-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-28 EP disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 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 (6 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-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 PAOX 3695/4885MAOA 4823/4885MAOB 4662/4885
US-11905291-B2 WDR5, WDR48, WDR1 PAOX 2615/4885MAOA 4647/4885MAOB 4631/4885
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 PAOX 1664/4885MAOA 2688/4885MAOB 3201/4885
US-20030225007-A1 Sulfonamide derivatives of 3-substituted imidazol[1,2-d]-1,2,4-thiadiazoles and 3-substituted-[1,2,4] thiadiazolo[4,5-a] benzimidazole as inhibitors of fibrin cross-linking and transglutaminases PIGS, FGB, SERPINE1 PAOX 2902/4885MAOA 1597/4885MAOB 2556/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 PAOX 1885/4885MAOA 1042/4885MAOB 706/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 PAOX 2032/4885MAOA 3702/4885MAOB 4254/4885

“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.