SCHEMBL537273

SCHEMBL537273

CCOC(=O)c1cc(O)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.67
PDE4D Q08499 4/20 0.67
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
ALOX12 P18054 1/20 0.65
PDE4A P27815 3/20 0.56
PDE4C Q08493 3/20 0.56
SLC5A1 P13866 1/20 0.55
SLC5A2 P31639 1/20 0.55
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CACNA1D Q01668 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
SCHEMBL3146601 0.91 PDE4B (0.67) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL10317229 0.89 PDE4B (0.68) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL2193937 0.81 CA9 (0.57) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL7268 0.81 KMT2A (0.68) PDE4DKMT2AMEN1ALOX12CA9
SCHEMBL1143459 0.81 POLB (0.60) PDE4DKMT2AMEN1MAPTGAA
SCHEMBL30583450 0.81 PDE4D (1.00) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL7473041 0.81 PDE4B (0.72) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL2201643 0.81 PDE4D (1.00) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL28625965 0.80 KMT2A (0.67) PDE4DKMT2AMEN1ALOX12CA9
SCHEMBL11441836 0.79 SMN1; SMN2 (0.55) PDE4BPDE4DKMT2AMEN1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659683-B Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO 2014-11-12 CN disclosed
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
CN-1938278-B Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO 2012-12-12 CN disclosed
CN-102659683-A Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO 2012-09-12 CN disclosed
CN-101384556-B Process for producing 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO 2012-06-20 CN disclosed
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
CN-101384556-A Process for producing 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO (JP) 2009-03-11 CN disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
CN-1938278-A Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO (JP) 2007-03-28 CN 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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 PDE4B 756/4885PDE4D 1371/4885KMT2A 841/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 PDE4B 1926/4885PDE4D 2740/4885KMT2A 1779/4885

“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.