SCHEMBL1777945

SCHEMBL1777945

CC(C)(O)c1nn2ccccc2c1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.36
MEN1 O00255 1/20 0.35
PDE5A O76074 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL1504722 0.86 ADAM17 (0.36) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL25054356 0.74 MMP7 (0.39) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL1780171 0.74 HDAC1 (0.46) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL1780822 0.74 ALDH1A1 (0.38) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL15189668 0.74 ALDH1A1 (0.47) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL1779590 0.71 EGFR (0.50) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL3206946 0.71 PDE5A (0.64) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL1665454 0.70 EGFR (0.40) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL1779509 0.70 ALDH1A1 (0.33) MIFMEN1PDE5AALDH1A1CYP1A2
SCHEMBL1779507 0.70 ALDH1A1 (0.33) MIFMEN1PDE5AALDH1A1CYP1A2

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 21 patents — showing the first 20. 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-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
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-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US 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-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
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 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
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US 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
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 MIF 4460/4885MEN1 1622/4885PDE5A 1687/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 MIF 4460/4885MEN1 1622/4885PDE5A 1687/4885

“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.