SCHEMBL21255

SCHEMBL21255

COC(=O)/C=C/c1ccc(C=O)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TYR P14679 1/20 0.54
FDPS P14324 2/20 0.54
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TTR P02766 1/20 0.50
APP P05067 1/20 0.50
PTPN1 P18031 1/20 0.48
EPHX2 P34913 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
JAK2 O60674 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL21256 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL25760124 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30403175 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL27522305 0.82 KMT2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL27522303 0.82 KMT2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL19025744 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL19039511 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL439860 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7397047 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL27470413 0.80 KDM4E (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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
WO-2012025701-A1 ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 US disclosed
EP-1114048-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS Bombrun, Agnès (FR) 2001-07-11 EP disclosed
WO-2000015639-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-03-23 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 (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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 CA12 312/4885CA1 48/4885CA2 350/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 CA12 372/4885CA1 50/4885CA2 459/4885

“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.