SCHEMBL4932550

SCHEMBL4932550

COC(=O)CCCCOc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45
TBXAS1 P24557 1/20 0.44
GAA P10253 1/20 0.44
SMPD1 P17405 2/20 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
SCHEMBL4841724 0.96 SMN1; SMN2 (0.46) SMN1; SMN2EGLN1PDE3BPDE3AP2RY12
SCHEMBL926321 0.92 SMN1; SMN2 (0.47) MMP3SMN1; SMN2EGLN1TBXAS1GAA
Hydrochloric Acid SCHEMBL926320 0.90 SMN1; SMN2 (0.46) MMP3SMN1; SMN2EGLN1TBXAS1GAA
SCHEMBL4839630 0.85 FFAR1 (0.53) SMN1; SMN2
SCHEMBL4832930 0.84 MMP3 (0.63) MMP3HDAC1HDAC2PDE3BPDE3A
SCHEMBL4841249 0.83 SMN1; SMN2 (0.55) SMN1; SMN2EGLN1GAA
SCHEMBL687850 0.83 CYSLTR2 (0.53)
SCHEMBL1482030 0.82 HDAC3 (0.45) HDAC1HDAC2SMN1; SMN2PDE3BPDE3A
SCHEMBL17261710 0.81 MTNR1A (0.60) PDE3BPDE3AP2RY12
SCHEMBL6335494 0.81 HDAC1 (0.63) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 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-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

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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 MMP3 9/4885HDAC1 10/4885HDAC2 22/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 MMP3 12/4885HDAC1 3/4885HDAC2 14/4885

“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.