SCHEMBL12499239

SCHEMBL12499239

CCOC(=O)/C=C/c1cnc(C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
FDPS P14324 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL11738515 0.90 HDAC1 (0.41) HDAC1HDAC2CA12CA1CA2
SCHEMBL11738508 0.90 HDAC1 (0.41) HDAC1HDAC2CA12CA1CA2
SCHEMBL16912896 0.86 CA12 (0.45) HDAC1HDAC2CA12CA1CA2
SCHEMBL28955947 0.85 APP (0.49) HDAC1HDAC2LMNAHTTHCAR2
SCHEMBL25961406 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL12681711 0.85 SMN1; SMN2 (0.51) HDAC1HDAC2CA12CA1CA2
SCHEMBL16808671 0.85 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL5724940 0.80 CCNE1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5724945 0.80 CCNE1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL7507718 0.80 CCNE1 (0.54) CA12CA1CA2CA7CA9

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
CN-103429079-A Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION INC 2013-12-04 CN disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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 (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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 4/4885CA12 754/4885

“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.