SCHEMBL1779622

SCHEMBL1779622

Cc1nc2ccccn2c1CC=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.44
DPP4 P27487 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ENPP2 Q13822 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
SCHEMBL5566700 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL2759541 0.80 ALDH1A1 (0.53) KMT2AALDH1A1KDM4EGAANPC1
SCHEMBL13341898 0.78 NPC1 (0.54) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL859623 0.78 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EGAANPC1
SCHEMBL859998 0.78 KDM4E (0.65) KMT2AALDH1A1KDM4EGAANPC1
SCHEMBL24348727 0.78 DPP4 (0.63) KMT2AALDH1A1KDM4EGAANPC1
SCHEMBL20138279 0.78 KDM4E (0.51) KMT2AALDH1A1KDM4EGAANPC1
SCHEMBL16156201 0.77 KMT2A (0.58) KMT2AALDH1A1KDM4EGAAMAPK1
SCHEMBL21995802 0.75 KMT2A (0.47) KMT2AALDH1A1KDM4EGAANPC1
SCHEMBL13220757 0.75 KMT2A (0.51) KMT2AALDH1A1KDM4EGAANPC1

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 KMT2A 103/4885ALDH1A1 238/4885KDM4E 305/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 KMT2A 103/4885ALDH1A1 238/4885KDM4E 305/4885

“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.