SCHEMBL2416705

SCHEMBL2416705

CCCCCOc1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
RECQL P46063 2/20 0.49
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2419186 0.96 NPC1 (0.50) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL620111 0.92 NPC1 (0.51) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL621449 0.86 NPC1 (0.49) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL2416942 0.86 NPC1 (0.49) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL2416895 0.86 ALDH1A1 (0.54) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL622167 0.86 NPC1 (0.46) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL621337 0.85 RAB9A (0.48) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL618974 0.85 RAB9A (0.48) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL2422731 0.85 RAB9A (0.48) NPC1RAB9ARECQLMAPTKMT2A
SCHEMBL618683 0.85 RAB9A (0.48) NPC1RAB9ARECQLMAPTKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
US-4209528-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885RECQL 4603/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 NPC1 2949/4885RAB9A 3040/4885RECQL 4603/4885

“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.