SCHEMBL4934009

SCHEMBL4934009

CSCc1cccc(CN)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.49
NOS2 P35228 8/20 0.49
NOS3 P29474 6/20 0.49
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
PRMT6 Q96LA8 1/20 0.44
SLC11A2 P49281 1/20 0.44
NCF1 P14598 1/20 0.41
KIF11 P52732 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3014825 0.89 SLC11A2 (0.46) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL13560707 0.81 HRH3 (0.50) NOS1NOS2NOS3LOXL2SMN1; SMN2
SCHEMBL36008 0.81 LOXL2 (0.71) NOS1NOS2NOS3PNMTENPP2
SCHEMBL10422276 0.81 LOXL2 (0.71) NOS1NOS2NOS3PNMTENPP2
SCHEMBL13560719 0.80 TP53 (0.44) ALDH1A1SMN1; SMN2SLC11A2KIF11TAAR1
SCHEMBL30515543 0.78 MAOB (0.52) ALDH1A1CYP3A4SLC11A2TAAR1
SCHEMBL22342264 0.78 SLC11A2 (0.39) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL28762449 0.78 ENPP2 (0.45) NOS1NOS2NOS3ENPP2SLC11A2
SCHEMBL14099205 0.78 FOLH1 (0.42) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL16176633 0.78 MAOB (0.52) ALDH1A1CYP3A4SLC11A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 US disclosed
WO-2019150138-A1 CONJUGATES OF CYCLODEXTRINS AND DEFERASIROX OR ANALOGUES THEREOF THE UNIVERSITY OF SUSSEX (GB) 2019-08-08 WO disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
US-20120277184-A1 BLOCKERS OF PORE-FORMING VIRULENCE FACTORS AND THEIR USE AS ANTI-INFECTIVES Innovative biologics, Inc (US) 2012-11-01 US disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20080234182-A1 Compound having a symmetry and size capable of fitting to an opening of the pore of a pore-forming pathogen for binding such that upon binding, the pore or prepore is blocked, especially cyclodextrin derivatives; combatting biological warfare; drug screening; drug design INNOVATIVE BIOLOGICS, INC. (US) 2008-09-25 US disclosed
US-20080234182-A1 Compound having a symmetry and size capable of fitting to an opening of the pore of a pore-forming pathogen for binding such that upon binding, the pore or prepore is blocked, especially cyclodextrin derivatives; combatting biological warfare; drug screening; drug design INNOVATIVE BIOLOGICS, INC. (US) 2008-09-25 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
CN-1976907-A Heterocyclic amide compound and use thereof as an MMP-13 inhibitor TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 NOS1 1011/4885NOS2 1125/4885NOS3 726/4885
US-20080234182-A1 Compound having a symmetry and size capable of fitting to an opening of the pore of a pore-forming pathogen for binding such that upon binding, the pore or prepore is blocked, especially cyclodextrin derivatives; combatting biological warfare; drug screening; drug design HAVCR2, GZMB, PRF1 NOS1 4521/4885NOS2 4710/4885NOS3 4680/4885
US-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 NOS1 2429/4885NOS2 1865/4885NOS3 2515/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 NOS1 719/4885NOS2 606/4885NOS3 424/4885
US-20120277184-A1 BLOCKERS OF PORE-FORMING VIRULENCE FACTORS AND THEIR USE AS ANTI-INFECTIVES ANTXR2, LTA, GZMB NOS1 2939/4885NOS2 2971/4885NOS3 3633/4885

“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.