SCHEMBL3548995

SCHEMBL3548995

COC(=O)CC(C[N+](=O)[O-])c1ccc(OC)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
F2 P00734 2/20 0.46
F10 P00742 2/20 0.46
PRSS1 P07477 2/20 0.46
F7 P08709 2/20 0.46
PRSS2 P07478 1/20 0.46
F3 P13726 1/20 0.46
PRSS3 P35030 1/20 0.46
PDE4A P27815 2/20 0.45

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
SCHEMBL13612580 0.92 SMPD1 (0.48) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3543357 0.90 MAPT (0.39) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13439291 0.90 SMPD1 (0.47) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13439288 0.86 KMT2A (0.49) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL7444186 0.85 ALDH1A1 (0.46) HDAC8ALDH1A1CYP2C19POLBSMN1; SMN2
SCHEMBL7432355 0.84 MAOB (0.50) ALDH1A1SMN1; SMN2MEN1KMT2APDE4A
SCHEMBL19586903 0.83 KMT2A (0.52) SMPD1SMN1; SMN2MEN1KMT2ACTSV
SCHEMBL2990764 0.80 SMPD1 (0.55) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL4125403 0.80 ALDH1A1 (0.60) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL5429879 0.80 SMPD1 (0.47) SMPD1HDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
EP-1435944-B1 4(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARM CORP (US) 2009-09-30 EP disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS RUIPING LIU 2009-07-09 US disclosed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
US-7235579-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-06-26 US disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
US-20050272803-A1 Phosphodiesterase 4 inhibitors RUIPING LIU 2005-12-08 US disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed
EP-1435944-A1 4(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES Memory Pharmaceutical Corporation (US) 2004-07-14 EP disclosed
US-20030139406-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-07-24 US disclosed
WO-2003032981-A1 4-(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARMACEUTICALS CORPORATION (US) 2003-04-24 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 (6 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-20030139406-A1 Phosphodiesterase 4 inhibitors PDE12, PDE4A, PDE5A SMPD1 49/4885HDAC1 123/4885HDAC8 522/4885
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE12, PDE3B SMPD1 70/4885HDAC1 128/4885HDAC8 475/4885
US-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B SMPD1 70/4885HDAC1 128/4885HDAC8 475/4885
US-20050272803-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B SMPD1 70/4885HDAC1 128/4885HDAC8 475/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 SMPD1 116/4885HDAC1 1191/4885HDAC8 1458/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A SMPD1 33/4885HDAC1 200/4885HDAC8 571/4885

“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.