SCHEMBL1780002

SCHEMBL1780002

O=Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.68
POLB P06746 2/20 0.61
KMT2A Q03164 8/20 0.59
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 6/20 0.54
NLRP3 Q96P20 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL11539970 0.93 PTGS2 (0.68) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL14893183 0.90 POLB (0.69) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL16974005 0.89 POLB (0.54) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL7254761 0.89 POLB (0.54) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928639 0.86 PTGS2 (0.74) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928572 0.85 PTGS2 (0.61) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL3447906 0.82 PTGS2 (1.00) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL1779124 0.82 ALDH1A1 (0.49) PTGS2POLBKMT2AALDH1A1MEN1
SCHEMBL29956167 0.80 POLB (0.51) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL13252313 0.80 PTGS2 (0.50) PTGS2POLBKMT2AALDH1A1SMN1; SMN2

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 PTGS2 1253/4885POLB 945/4885KMT2A 103/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 PTGS2 1253/4885POLB 945/4885KMT2A 103/4885

“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.