SCHEMBL3026652

SCHEMBL3026652

[CH2][C@@H](C)OC(=O)c1ccc(C)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL3022315 1.00 HDAC1 (0.49) HDAC1HDAC6KMT2AMAPTMAPK1
SCHEMBL3022317 1.00 HDAC1 (0.49) HDAC1HDAC6KMT2AMAPTMAPK1
SCHEMBL9944378 0.86 HDAC1 (0.56) HDAC1HDAC6KMT2AMAPTMAPK1
SCHEMBL30574349 0.77 MAPK1 (0.67) HDAC1HDAC6KMT2AMAPTMAPK1
SCHEMBL64763 0.77 MAPK1 (0.67) HDAC1HDAC6KMT2AMAPTMAPK1
SCHEMBL3027982 0.77 ALDH1A1 (0.62) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3026613 0.77 ALDH1A1 (0.62) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3026611 0.77 ALDH1A1 (0.62) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL28069631 0.75 HDAC1 (0.55) HDAC1HDAC6KMT2AMAPTMAPK1
SCHEMBL27892719 0.75 HDAC1 (0.55) HDAC1HDAC6KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US claimed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US claimed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US claimed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US claimed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US claimed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US disclosed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US disclosed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 US disclosed
WO-2008034087-A2 TREATING SCHIZOPHRENIA WITH COMBINATIONS OF LEVODOPA AND AN ANTIPSYCHOTIC AGENT XENOPORT, INC. (US) 2008-03-20 WO disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US 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 (5 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-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC HDAC1 3982/4885HDAC6 4072/4885KMT2A 1568/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC HDAC1 3982/4885HDAC6 4072/4885KMT2A 1568/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC HDAC1 3982/4885HDAC6 4072/4885KMT2A 1568/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC HDAC1 3982/4885HDAC6 4072/4885KMT2A 1568/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 HDAC1 4331/4885HDAC6 3621/4885KMT2A 3239/4885

“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.