SCHEMBL4312012

SCHEMBL4312012

CC(C)NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
DUSP3 P51452 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PAOX Q6QHF9 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
EPHX1 P07099 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL16589287 0.94 HPGD (0.47) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL14025156 0.93 PAOX (0.49) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL682249 0.88 CA12 (0.46) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL28984365 0.86 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2LMNA
SCHEMBL11432858 0.85 HPGD (0.54) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL20099460 0.85 HPGD (0.50) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL22965525 0.85 HPGD (0.50) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL22651218 0.84 ALDH1A1 (0.55) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL19226639 0.84 HPGD (0.49) HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2
SCHEMBL8258583 0.84 CARM1 (0.48) SMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751380-A Polyamine heterocyclic compound, preparation method and application thereof, and polyamine heterocyclic compound combined solution 大连理工大学 2025-04-04 CN disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS ALLERGAN, INC. (US) 2008-10-02 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US 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 (11 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 HPGD 3649/4885DUSP3 3219/4885ALDH1A1 3117/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO HPGD 3860/4885DUSP3 65/4885ALDH1A1 4030/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 HPGD 3552/4885DUSP3 2328/4885ALDH1A1 3948/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS HPGD 178/4885DUSP3 2850/4885ALDH1A1 137/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HPGD 4476/4885DUSP3 953/4885ALDH1A1 4827/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 HPGD 28/4885DUSP3 2736/4885ALDH1A1 133/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 HPGD 416/4885DUSP3 1929/4885ALDH1A1 813/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A HPGD 4832/4885DUSP3 1210/4885ALDH1A1 1556/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE HPGD 433/4885DUSP3 932/4885ALDH1A1 2185/4885
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS FLT1, JAK1, KDR HPGD 4406/4885DUSP3 846/4885ALDH1A1 4379/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HPGD 1425/4885DUSP3 1021/4885ALDH1A1 2264/4885

“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.