SCHEMBL1780894

SCHEMBL1780894

Cc1c(CCOS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 3/20 0.48
ALDH1A1 P00352 3/20 0.48
BCHE P06276 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 2/20 0.46
THRB P10828 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
DPP4 P27487 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL644930 0.79 POLB (0.60) KDM4EHSD17B10ALOX15ALDH1A1BCHE
SCHEMBL1780443 0.79 KDM4E (0.59) KDM4EHSD17B10ALOX15ALDH1A1BCHE
SCHEMBL3695330 0.78 HSD17B10 (0.49) KDM4EHSD17B10ALOX15ALDH1A1BCHE
SCHEMBL1780354 0.77 ALDH1A1 (0.59) KDM4EALOX15ALDH1A1BCHEPTGS2
SCHEMBL11474990 0.77 BCHE (0.59) KDM4EHSD17B10ALOX15ALDH1A1BCHE
4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 0.77 ALOX15 (0.62) KDM4EHSD17B10ALOX15ALDH1A1BCHE
Water SCHEMBL30370095 0.76 ALDH1A1 (0.47) KDM4EHSD17B10ALOX15ALDH1A1BCHE
4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 0.75 ALOX15 (0.60) KDM4EHSD17B10ALOX15ALDH1A1BCHE
SCHEMBL4324895 0.75 ALOX15 (0.60) KDM4EHSD17B10ALOX15ALDH1A1BCHE
SCHEMBL28442475 0.75 KDM4E (0.69) KDM4EHSD17B10ALOX15ALDH1A1BCHE

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 KDM4E 305/4885HSD17B10 81/4885ALOX15 3409/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 KDM4E 305/4885HSD17B10 81/4885ALOX15 3409/4885

“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.