SCHEMBL890851

SCHEMBL890851

CSc1ccc([N+](=O)[O-])c(NCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
MAPT P10636 3/20 0.41
KAT2B Q92831 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
PKM P14618 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
BCHE P06276 2/20 0.39
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL19058451 0.91 BRD4 (0.43) BRD4GAAKMT2AMALT1BCHE
SCHEMBL17928510 0.90 BRD4 (0.42) BRD4GAAKMT2AMALT1BCHE
SCHEMBL19058464 0.85 NQO2 (0.46) BRD4MAPTKAT2BNPC1RAB9A
SCHEMBL10155416 0.84 KMT2A (0.44) BRD4MAPTNPC1RAB9ALMNA
SCHEMBL906324 0.84 MAPT (0.42) BRD4MAPTKAT2BNPC1RAB9A
SCHEMBL10193104 0.84 NPC1 (0.44) BRD4MAPTKAT2BNPC1RAB9A
SCHEMBL891344 0.83 MAPT (0.54) BRD4MAPTKAT2BNPC1RAB9A
SCHEMBL19058450 0.83 HCAR3 (0.52) MAPTNPC1RAB9ALMNAGAA
SCHEMBL891296 0.82 BRD4 (0.45) BRD4MALT1BCHEIDO1
SCHEMBL1062316 0.82 MAPT (0.47) BRD4MAPTNPC1RAB9ALMNA

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
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP 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 2395/4885MAPT 3585/4885KAT2B 4331/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 BRD4 2395/4885MAPT 3585/4885KAT2B 4331/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 BRD4 2395/4885MAPT 3585/4885KAT2B 4331/4885

“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.