SCHEMBL1781256

SCHEMBL1781256

CCOC(=O)C#Cc1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
AGTR1 P30556 1/20 0.35
MEN1 O00255 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
SCHEMBL30898832 0.79 GRM5 (0.52) GRM5POLBSMN1; SMN2KMT2AKDM4E
SCHEMBL852762 0.79 GRM5 (0.52) GRM5POLBSMN1; SMN2KMT2AKDM4E
SCHEMBL20270834 0.78 SMN1; SMN2 (0.31) POLBTSHRCDC7DBF4SMN1; SMN2
SCHEMBL6121465 0.76 GRM5 (0.49) GRM5TSHRKMT2A
SCHEMBL2687297 0.74 GRM5 (0.48) GRM5POLBTSHRNPC1KMT2A
SCHEMBL853721 0.73 CDC7 (0.43) GRM5CDC7DBF4KMT2AHPGD
SCHEMBL852779 0.73 ALDH1A1 (0.39) GRM5KMT2A
SCHEMBL23856226 0.71 CYP1A2 (0.49) KMT2AMAPTHAO1
SCHEMBL4871735 0.70 GRM5 (0.54) GRM5SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL20269777 0.70 DGAT1 (0.50) POLBRAB9ANPC1KMT2AHPGD

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 15 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-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
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
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
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 GRM5 1283/4885POLB 945/4885TSHR 2192/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 GRM5 1283/4885POLB 945/4885TSHR 2192/4885

“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.