SCHEMBL1777959

SCHEMBL1777959

CO/C=C/c1c(C)nn(-c2ccccc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 4/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 2/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
IDE P14735 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMO Q99835 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1777962 1.00 HTT (0.57) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL29943530 0.77 HTT (0.64) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL1779819 0.77 HTT (0.64) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL8859357 0.74 HTT (0.74) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL2453960 0.71 SMN1; SMN2 (0.61) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL31755975 0.71 SMN1; SMN2 (0.61) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL2453964 0.70 SMN1; SMN2 (0.66) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL11487535 0.69 LMNA (0.74) HTTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL2998093 0.68 POLB (0.44) SMN1; SMN2MAPTGAAPOLBALDH1A1
SCHEMBL2998092 0.68 POLB (0.44) SMN1; SMN2MAPTGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
EP-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 EP disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HTT 1121/4885ALOX15 3409/4885MEN1 1622/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HTT 1121/4885ALOX15 3409/4885MEN1 1622/4885

“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.