SCHEMBL4664693

SCHEMBL4664693

CCCCc1cccc(N2N=C(C)CC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.64
MAPT P10636 6/20 0.60
KMT2A Q03164 6/20 0.60
KDM4E B2RXH2 5/20 0.60
GAA P10253 4/20 0.60
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
CYP1A2 P05177 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHRM1 P11229 1/20 0.56
TSHR P16473 1/20 0.56
PTGS1 P23219 1/20 0.56
DRD3 P35462 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOA P21397 5/20 0.56
MAOB P27338 5/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL12756285 0.81 MAPT (0.81) APPMAPTKMT2AKDM4EGAA
SCHEMBL30712835 0.78 MAPT (0.56) APPMAPTKMT2AKDM4EGAA
SCHEMBL125079 0.77 MAPT (0.74) APPMAPTKMT2AKDM4EGAA
SCHEMBL1260486 0.76 MAPT (1.00) APPMAPTKMT2AKDM4EGAA
SCHEMBL1854311 0.75 MAPT (0.70) APPMAPTKMT2AKDM4EGAA
SCHEMBL4338431 0.75 MAPT (0.70) APPMAPTKMT2AKDM4EGAA
SCHEMBL4664881 0.75 MAPT (0.62) APPMAPTKMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL21597225 0.73 MAPT (0.68) APPMAPTKMT2AKDM4EGAA
Edaravone SCHEMBL4704 0.73 KMT2A (1.00) APPMAPTKMT2AKDM4EGAA
SCHEMBL8011635 0.73 KMT2A (0.63) APPMAPTKMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183206-B2 Particularly 3-methyl-1-phenyl-2-pyrazolin-5-one; thrombolytic agent, an anticoagulant and/or a platelet aggregation inhibitory agent such as a thromboxane synthetase inhibitor; for treating and/or preventing ischemic diseases which are safe and have few side effects MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-22 US disclosed
EP-1437137-B1 DRUGS COMPRISING COMBINATION OF ANTITHROMBOTIC AGENT WITH PYRAZOLONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2008-12-31 EP disclosed
US-20050009896-A1 Particularly 3-methyl-1-phenyl-2-pyrazolin-5-one; thrombolytic agent, an anticoagulant and/or a platelet aggregation inhibitory agent such as a thromboxane synthetase inhibitor; for treating and/or preventing ischemic diseases which are safe and have few side effects MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-01-13 US disclosed
EP-1437137-A1 DRUGS COMPRISING COMBINATION OF ANTITHROMBOTIC AGENT WITH PYRAZOLONE DERIVATIVE Mitsubishi Pharma Corporation (JP) 2004-07-14 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 (1 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-20050009896-A1 Particularly 3-methyl-1-phenyl-2-pyrazolin-5-one; thrombolytic agent, an anticoagulant and/or a platelet aggregation inhibitory agent such as a thromboxane synthetase inhibitor; for treating and/or preventing ischemic diseases which are safe and have few side effects PLAT, PTGIS, SERPINC1 APP 4613/4885MAPT 4680/4885KMT2A 2884/4885

“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.