SCHEMBL1779124

SCHEMBL1779124

O=CCc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 3/20 0.44
PTGS2 P35354 1/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL1780002 0.82 PTGS2 (0.68) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11246386 0.77 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11264852 0.77 KDM4E (0.70) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11539970 0.75 PTGS2 (0.68) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11262052 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL14893183 0.73 POLB (0.69) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL16974005 0.72 POLB (0.54) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL7254761 0.72 POLB (0.54) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL11763001 0.71 NOTUM (0.54) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL29951388 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1HPGD

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 10 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
CN-102036955-B Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2013-03-27 CN 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
CN-102036955-A Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2011-04-27 CN 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 ALDH1A1 238/4885KMT2A 103/4885MAPT 3582/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 ALDH1A1 238/4885KMT2A 103/4885MAPT 3582/4885

“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.