SCHEMBL76577

SCHEMBL76577

CCNCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.57
HPGD P15428 1/20 0.55
DUSP3 P51452 1/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM1A O60341 1/20 0.47
MAPK1 P28482 3/20 0.45
HIF1A Q16665 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.45

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
SCHEMBL22317835 0.96 PAOX (0.58) PAOXHPGDDUSP3ALDH1A1CYP2C19
SCHEMBL39800 0.88 CA12 (0.47) PAOXHPGDDUSP3ALDH1A1CYP2D6
SCHEMBL721355 0.87 PAOX (0.64) PAOXHPGDDUSP3ALDH1A1CYP2C19
SCHEMBL2238005 0.86 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1CYP2C19
SCHEMBL3200520 0.86 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL2488967 0.85 PAOX (0.62) PAOXHPGDDUSP3ALDH1A1CYP2C19
SCHEMBL4640495 0.85 CYP2C19 (0.50) PAOXCYP2C19SMN1; SMN2KDM1ACYP1A2
SCHEMBL21572857 0.85
SCHEMBL540786 0.85 PAOX (0.62) PAOXHPGDDUSP3ALDH1A1CYP2C19
SCHEMBL169004 0.83 PAOX (0.65) PAOXHPGDDUSP3ALDH1A1CYP2C19

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 97 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
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2023150618-A2 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230056729-A1 REPLICATION PROTEIN A (RPA)-DNA INTERACTION INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-02-23 US disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 US disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
EP-1290056-A1 POLYURETHANE COMPOSITIONS BASED ON POLYESTER BLOCK COPOLYMERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-12 EP disclosed
EP-1250394-A1 POLYURETHANE COMPOSITIONS ON THE BASIS OF POLYESTER-POLYETHER COPOLYMERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-10-23 EP disclosed
WO-2001096436-A1 POLYURETHANE COMPOSITIONS BASED ON POLYESTER BLOCK COPOLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-20 WO disclosed
WO-2001046330-A1 POLYURETHANE COMPOSITIONS ON THE BASIS OF POLYESTER-POLYETHER COPOLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-28 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 (8 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 PAOX 2041/4885HPGD 2408/4885DUSP3 4589/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R PAOX 1249/4885HPGD 2926/4885DUSP3 1891/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS PAOX 2291/4885HPGD 178/4885DUSP3 2850/4885
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents CYP1A1, NAT1, AKR7A2 PAOX 57/4885HPGD 2639/4885DUSP3 3831/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 PAOX 1763/4885HPGD 3971/4885DUSP3 1806/4885
US-20230056729-A1 REPLICATION PROTEIN A (RPA)-DNA INTERACTION INHIBITORS RPA1, RPA3, RPAP1 PAOX 1986/4885HPGD 2345/4885DUSP3 2560/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 PAOX 158/4885HPGD 28/4885DUSP3 2736/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 PAOX 3639/4885HPGD 1425/4885DUSP3 1021/4885

“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.