SCHEMBL2417639

SCHEMBL2417639

CC1(COc2cccc([N+](=O)[O-])c2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ RECQL P46063 2/20 0.40
▸ ALDH1A1 P00352 8/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ SGMS2 Q8NHU3 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL6205625 0.83 CTDSP1 (0.38) CTDSP1NPC1RAB9ARECQLALDH1A1
SCHEMBL2416895 0.81 ALDH1A1 (0.54) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL15972056 0.79 CTDSP1 (0.45) CTDSP1NPC1RAB9ARECQLALDH1A1
SCHEMBL620111 0.79 NPC1 (0.51) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL27923947 0.78 CTDSP1 (0.41) CTDSP1NPC1RAB9ARECQLALDH1A1
SCHEMBL621031 0.77 NPC1 (0.43) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL28312000 0.77 RAB9A (0.43) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL2416326 0.77 ALDH1A1 (0.45) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL27806364 0.77 NPC1 (0.43) CTDSP1NPC1RAB9ARECQLALDH1A1
SCHEMBL2419186 0.77 NPC1 (0.50) NPC1RAB9ARECQLALDH1A1TDP1

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 11 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
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 — — CN 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

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 CTDSP1 4003/4885NPC1 2949/4885RAB9A 3040/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CTDSP1 4003/4885NPC1 2949/4885RAB9A 3040/4885

“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.

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