SCHEMBL4661827

SCHEMBL4661827

C=CC(=O)Oc1ccc(-n2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
BAZ2B Q9UIF8 1/20 0.53
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
HTT P42858 1/20 0.52
ENPP2 Q13822 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
CYP19A1 P11511 3/20 0.50
ADH5 P11766 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL3990221 0.81 CYP3A4 (0.55) CYP3A4BAZ2BCYP11B1CYP11B2HTT
SCHEMBL4757507 0.81 CYP3A4 (0.55) CYP3A4BAZ2BCYP11B1CYP11B2HTT
SCHEMBL27834151 0.79 CYP3A4 (0.53) CYP3A4BAZ2BCYP11B1CYP11B2HTT
SCHEMBL7462893 0.78 CYP3A4 (0.64) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL27814146 0.78 CYP3A4 (0.55) CYP3A4BAZ2BCYP11B1CYP11B2HTT
SCHEMBL8781221 0.77 CYP3A4 (0.54) CYP3A4BAZ2BCYP11B1CYP11B2HTT
Acrylic Acid SCHEMBL28324903 0.76 CYP3A4 (0.70) CYP3A4BAZ2BCYP11B1CYP11B2HTT
SCHEMBL10363643 0.76 CYP3A4 (0.53) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL27886414 0.75 IDO1 (0.49) CYP3A4BAZ2BCYP11B1CYP11B2HTT
SCHEMBL445884 0.75 CYP3A4 (0.58) CYP3A4BAZ2BCYP11B1CYP11B2HTT

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-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 claimed
EP-1437137-A1 DRUGS COMPRISING COMBINATION OF ANTITHROMBOTIC AGENT WITH PYRAZOLONE DERIVATIVE Mitsubishi Pharma Corporation (JP) 2004-07-14 EP claimed
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 CYP3A4 1183/4885BAZ2B 1567/4885CYP11B1 740/4885

“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.