SCHEMBL891296

SCHEMBL891296

CSc1ccc(N)c(NCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
BCHE P06276 1/20 0.42
HTT P42858 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
IDO1 P14902 2/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
CDK2 P24941 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LATS1 O95835 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19058462 0.85 NQO2 (0.49) BRD4MALT1BCHECA12CA1
SCHEMBL19058453 0.84 BRD4 (0.43) BRD4MALT1BCHEHTTPDE3B
SCHEMBL19058451 0.84 BRD4 (0.43) BRD4MALT1BCHEHTTCA12
SCHEMBL1182685 0.84 AAK1 (0.55) MALT1BCHECA12CA1CA2
SCHEMBL17928510 0.83 BRD4 (0.42) BRD4MALT1BCHEHTTCA12
SCHEMBL17928523 0.82 HDAC1 (0.40) BRD4HTT
SCHEMBL19020075 0.82 PTGER4 (0.48) BRD4MALT1BCHEHTTCA12
SCHEMBL891595 0.82 CA12 (0.44) BRD4MALT1BCHECA12CA1
SCHEMBL890851 0.82 BRD4 (0.42) BRD4MALT1BCHEIDO1
SCHEMBL891049 0.81 KDM4E (0.46) BRD4MALT1BCHEPDE3BPDE3A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP disclosed
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP disclosed
EP-2510925-B1 Small-Molecule modulators of TRP-P8 activity DENDREON CORP (US) 2016-07-20 EP disclosed
EP-2510925-B1 Small-Molecule modulators of TRP-P8 activity DENDREON CORP (US) 2016-07-20 EP disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 US disclosed
US-8614243-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-24 US disclosed
EP-1986622-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORP (US) 2013-10-02 EP disclosed
EP-2510925-A2 Small-Molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2012-10-17 EP disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO disclosed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 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 (3 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 BRD4 2395/4885MALT1 1723/4885BCHE 4109/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 BRD4 2395/4885MALT1 1723/4885BCHE 4109/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 BRD4 2395/4885MALT1 1723/4885BCHE 4109/4885

“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.