SCHEMBL3539766

SCHEMBL3539766

CCOC(=O)C(=O)CC(=O)c1ccc(C)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DGAT1 O75907 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5271037 0.89 HDAC1 (0.51) POLBALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL10662120 0.86 HDAC1 (0.51) POLBALDH1A1HDAC1HDAC6KDM4E
SCHEMBL29939457 0.86 HDAC1 (0.51) POLBALDH1A1HDAC1HDAC6KDM4E
SCHEMBL2819978 0.82 PLOD2 (0.58) POLBALDH1A1SMN1; SMN2HDAC1KDM4E
SCHEMBL2911004 0.80 ALDH1A1 (0.58) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19533658 0.80 CTSA (0.49) POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL31412561 0.80 ALDH1A1 (0.49) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4734775 0.79 HDAC1 (0.54) ALDH1A1HDAC1HDAC6KDM4EMAPT
SCHEMBL12020298 0.79 ESR1 (0.58) POLBALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL9208969 0.79 ALDH1A1 (0.57) POLBALDH1A1SMN1; SMN2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (3 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 POLB 4340/4885ALDH1A1 111/4885SMN1; SMN2 3490/4885
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 POLB 4463/4885ALDH1A1 1623/4885SMN1; SMN2 1156/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 POLB 4082/4885ALDH1A1 171/4885SMN1; SMN2 4048/4885

“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.